Natural Product: NPC112890

Natural Product ID:  NPC112890
Common Name:   Lysine
IUPAC Name:   (2S)-2,6-diaminohexanoic acid
Synonyms:   Lysine
Molecular Formula:   C6H14N2O2
Standard InCHIKey:  KDXKERNSBIXSRK-YFKPBYRVSA-N
Standard InCHI:  InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Canonical SMILES:  NCCCC[C@@H](C(=O)O)N
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24831709]
NPO2088 Bamusaeconcretiosilicea NA NA NA TCMSP*
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO9198.1 Streptomyces albulus ccrc 11814 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[24831709]
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO19673 Galanthus nivalis Species Amaryllidaceae Eukaryota UNPD*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*
NPO14676 Carissa edulis Species Apocynaceae Eukaryota UNPD*
NPO8383 Astragalus danicus Species Fabaceae Eukaryota UNPD*
NPO14500 Pyrus pyraster Species Rosaceae Eukaryota UNPD*
NPO16632 Pyrofomes albomarginatus Species Polyporaceae Eukaryota UNPD*
NPO17557 Hydrodictyon reticulatum Species Hydrodictyaceae Eukaryota UNPD*
NPO19542 Grindelia havardii Species Asteraceae Eukaryota UNPD*
NPO8884 Cuscuta reflexa Species Convolvulaceae Eukaryota UNPD*
NPO19343 Centaurea glastifolia Species Asteraceae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO17305 Oenanthe phellandrium Species Muscicapidae Eukaryota UNPD*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO19602 Nephelium maingayi Species Sapindaceae Eukaryota UNPD*
NPO28265 Morus alba Species Moraceae Eukaryota TM-MC*
NPO19474 Clavaria pyxidata Species Clavariaceae Eukaryota UNPD*
NPO16194 Morus bombycis Species Moraceae Eukaryota TM-MC*
NPO8918 Plantago depressa Species Plantaginaceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO19214 Polyscias scutellaria Species Araliaceae Eukaryota UNPD*
NPO15147 Ficus simplicissima Species Moraceae Eukaryota TCMID*
NPO8992 Strychnos diplotricha Species Loganiaceae Eukaryota UNPD*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*
NPO3933 Lilium hansonii Species Liliaceae Eukaryota UNPD*
NPO29234 Aesculus chinensis Species Sapindaceae Eukaryota TCMID*
NPO15485 Shorea uliginosa Species Dipterocarpaceae Eukaryota UNPD*
NPO15688 Astragalus oxyphysus Species Fabaceae Eukaryota UNPD*
NPO24062 Radix pseudostellariae Species Lymnaeidae Eukaryota TCMID*
NPO16585 Sonchus microcarpus Species Asteraceae Eukaryota UNPD*
NPO18559 Cucumaria okhotensis Species Cucumariidae Eukaryota UNPD*
NPO10029 Prunus dulcis Species Rosaceae Eukaryota UNPD*
NPO19801 Euphorbia armena Species Euphorbiaceae Eukaryota UNPD*
NPO18991 Senecio candollei Species Asteraceae Eukaryota UNPD*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota PMID[25899098]
NPO22562 Atractylodes macrocephala koidz Species Asteraceae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23940645]
NPO29587 Euryales semen NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota breast milk PMID[24027187]
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[2026685]
NPO29560 Carthami flos NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[23857558]
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO26902 Vigna radiata Species Fabaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ki = 2800000 nM 17895252
NPT2 Others Unspecified Activity = 0 % 19261478
NPT317 Uncleic Acid Nucleic Acid Kd = 360 nM 17143270
NPT317 Uncleic Acid Nucleic Acid Kd = 1700 nM 17143270
NPT317 Uncleic Acid Nucleic Acid Kd = 3000 nM 17143270
NPT317 Uncleic Acid Nucleic Acid Kd = 2900 nM 17143270
NPT1557 Individual Protein Glutathione reductase Homo sapiens IC50 = 61200 nM 21795044
NPT1557 Individual Protein Glutathione reductase Homo sapiens Ki = 54600 nM 21795044
NPT4315 Organism Vicia faba Vicia faba Activity = 104 % 9305806
NPT4315 Organism Vicia faba Vicia faba Activity = 99.6 % 9305806
NPT4315 Organism Vicia faba Vicia faba Activity = 97 % 9305806
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 141.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Kd = 360 nM 25603286

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC112890 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC316231
1.0 High Similarity NPC324825
0.8936 High Similarity NPC140872
0.8936 High Similarity NPC93081
0.8889 High Similarity NPC323974
0.88 High Similarity NPC183845
0.88 High Similarity NPC279661
0.8696 High Similarity NPC118459
0.8696 High Similarity NPC327698
0.8654 High Similarity NPC278209
0.8491 Intermediate Similarity NPC189301
0.8491 Intermediate Similarity NPC176164
0.8333 Intermediate Similarity NPC320598
0.8333 Intermediate Similarity NPC254541
0.8182 Intermediate Similarity NPC68974
0.8 Intermediate Similarity NPC268927
0.8 Intermediate Similarity NPC84636
0.8 Intermediate Similarity NPC245027
0.8 Intermediate Similarity NPC64250
0.8 Intermediate Similarity NPC62045
0.8 Intermediate Similarity NPC226027
0.8 Intermediate Similarity NPC174246
0.8 Intermediate Similarity NPC162620
0.8 Intermediate Similarity NPC43204
0.8 Intermediate Similarity NPC276928
0.7917 Intermediate Similarity NPC329263
0.7885 Intermediate Similarity NPC190184
0.7885 Intermediate Similarity NPC197087
0.7872 Intermediate Similarity NPC276294
0.7843 Intermediate Similarity NPC50457
0.7843 Intermediate Similarity NPC273330
0.7843 Intermediate Similarity NPC137958
0.7826 Intermediate Similarity NPC326992
0.7826 Intermediate Similarity NPC121517
0.7826 Intermediate Similarity NPC168375
0.7692 Intermediate Similarity NPC155512
0.7627 Intermediate Similarity NPC278881
0.75 Intermediate Similarity NPC291186
0.75 Intermediate Similarity NPC167986
0.7455 Intermediate Similarity NPC325985
0.7455 Intermediate Similarity NPC38463
0.7347 Intermediate Similarity NPC126925
0.7347 Intermediate Similarity NPC132307
0.7347 Intermediate Similarity NPC325097
0.7273 Intermediate Similarity NPC2801
0.7255 Intermediate Similarity NPC136159
0.7255 Intermediate Similarity NPC101249
0.7193 Intermediate Similarity NPC302003
0.7193 Intermediate Similarity NPC11433
0.7193 Intermediate Similarity NPC245346
0.7119 Intermediate Similarity NPC118429
0.7115 Intermediate Similarity NPC153370
0.7097 Intermediate Similarity NPC188231
0.7097 Intermediate Similarity NPC222327
0.7097 Intermediate Similarity NPC314221
0.7097 Intermediate Similarity NPC60424
0.7083 Intermediate Similarity NPC237525
0.7083 Intermediate Similarity NPC66043
0.7083 Intermediate Similarity NPC53449
0.7083 Intermediate Similarity NPC326212
0.7069 Intermediate Similarity NPC317143
0.7069 Intermediate Similarity NPC327748
0.7069 Intermediate Similarity NPC321468
0.7069 Intermediate Similarity NPC321536
0.7069 Intermediate Similarity NPC316826
0.7059 Intermediate Similarity NPC136476
0.7059 Intermediate Similarity NPC49952
0.7021 Intermediate Similarity NPC18188
0.7018 Intermediate Similarity NPC318260
0.7018 Intermediate Similarity NPC317147
0.6984 Remote Similarity NPC107224
0.6964 Remote Similarity NPC322573
0.6957 Remote Similarity NPC272614
0.6957 Remote Similarity NPC21290
0.6957 Remote Similarity NPC116709
0.6949 Remote Similarity NPC329564
0.6949 Remote Similarity NPC327170
0.6949 Remote Similarity NPC143722
0.6897 Remote Similarity NPC319279
0.6897 Remote Similarity NPC190385
0.6885 Remote Similarity NPC103130
0.6885 Remote Similarity NPC226453
0.6875 Remote Similarity NPC15864
0.6863 Remote Similarity NPC208793
0.6863 Remote Similarity NPC285322
0.6852 Remote Similarity NPC125736
0.6818 Remote Similarity NPC315897
0.6809 Remote Similarity NPC63621
0.6731 Remote Similarity NPC297220
0.6731 Remote Similarity NPC213876
0.6731 Remote Similarity NPC309658
0.6731 Remote Similarity NPC185755
0.6667 Remote Similarity NPC270805
0.6667 Remote Similarity NPC170739
0.6667 Remote Similarity NPC327985
0.6667 Remote Similarity NPC193989
0.6667 Remote Similarity NPC152451
0.6667 Remote Similarity NPC328378
0.6667 Remote Similarity NPC198301
0.6667 Remote Similarity NPC93888
0.6613 Remote Similarity NPC315744
0.6613 Remote Similarity NPC289691
0.6604 Remote Similarity NPC181588
0.6567 Remote Similarity NPC185084
0.6545 Remote Similarity NPC315977
0.6508 Remote Similarity NPC174304
0.6508 Remote Similarity NPC325597
0.6491 Remote Similarity NPC60672
0.6491 Remote Similarity NPC316889
0.6491 Remote Similarity NPC321118
0.6491 Remote Similarity NPC322091
0.6429 Remote Similarity NPC200550
0.6429 Remote Similarity NPC155156
0.6429 Remote Similarity NPC322946
0.6406 Remote Similarity NPC287693
0.6406 Remote Similarity NPC325534
0.6379 Remote Similarity NPC327831
0.6364 Remote Similarity NPC133183
0.6364 Remote Similarity NPC322274
0.6349 Remote Similarity NPC106216
0.6349 Remote Similarity NPC88898
0.6316 Remote Similarity NPC263065
0.6316 Remote Similarity NPC317815
0.6316 Remote Similarity NPC189178
0.6308 Remote Similarity NPC118524
0.6308 Remote Similarity NPC196359
0.6308 Remote Similarity NPC78312
0.6308 Remote Similarity NPC135539
0.6308 Remote Similarity NPC221764
0.6304 Remote Similarity NPC328710
0.6304 Remote Similarity NPC18224
0.6304 Remote Similarity NPC175342
0.6296 Remote Similarity NPC204364
0.629 Remote Similarity NPC302188
0.6275 Remote Similarity NPC226265
0.6275 Remote Similarity NPC326808
0.6275 Remote Similarity NPC219143
0.6275 Remote Similarity NPC254482
0.6275 Remote Similarity NPC110533
0.6275 Remote Similarity NPC317691
0.625 Remote Similarity NPC472609
0.625 Remote Similarity NPC114990
0.625 Remote Similarity NPC50047
0.625 Remote Similarity NPC9294
0.6212 Remote Similarity NPC319046
0.6182 Remote Similarity NPC327542
0.6176 Remote Similarity NPC328457
0.614 Remote Similarity NPC29950
0.614 Remote Similarity NPC19576
0.6129 Remote Similarity NPC177191
0.6119 Remote Similarity NPC126779
0.6111 Remote Similarity NPC198196
0.6102 Remote Similarity NPC102815
0.6094 Remote Similarity NPC57420
0.6042 Remote Similarity NPC317203
0.6034 Remote Similarity NPC329495
0.6034 Remote Similarity NPC474322
0.6 Remote Similarity NPC316168
0.6 Remote Similarity NPC320221
0.5965 Remote Similarity NPC319175
0.5965 Remote Similarity NPC327239
0.5957 Remote Similarity NPC114517
0.5918 Remote Similarity NPC134782
0.5918 Remote Similarity NPC155263
0.5915 Remote Similarity NPC327272
0.5909 Remote Similarity NPC470108
0.5893 Remote Similarity NPC96966
0.5893 Remote Similarity NPC29222
0.5893 Remote Similarity NPC121062
0.5873 Remote Similarity NPC321419
0.5867 Remote Similarity NPC219340
0.5862 Remote Similarity NPC202525
0.5857 Remote Similarity NPC55274
0.5833 Remote Similarity NPC10915
0.5821 Remote Similarity NPC470109
0.5818 Remote Similarity NPC228932
0.58 Remote Similarity NPC252843
0.58 Remote Similarity NPC109026
0.58 Remote Similarity NPC69179
0.5789 Remote Similarity NPC286989
0.5789 Remote Similarity NPC17244
0.5781 Remote Similarity NPC322206
0.5778 Remote Similarity NPC126681
0.5763 Remote Similarity NPC123814
0.5763 Remote Similarity NPC8488
0.5763 Remote Similarity NPC333075
0.5763 Remote Similarity NPC245768
0.5763 Remote Similarity NPC274499
0.5735 Remote Similarity NPC470110
0.5714 Remote Similarity NPC306973
0.5714 Remote Similarity NPC118187
0.5692 Remote Similarity NPC327252
0.5686 Remote Similarity NPC73245
0.5686 Remote Similarity NPC268826
0.5667 Remote Similarity NPC145235
0.5652 Remote Similarity NPC174368
0.5636 Remote Similarity NPC191136
0.5614 Remote Similarity NPC227850
0.5614 Remote Similarity NPC318523
0.5614 Remote Similarity NPC193872

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC112890 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD9044 Approved
0.9565 High Similarity NPD9016 Clinical (unspecified phase)
0.8936 High Similarity NPD8809 Approved
0.8936 High Similarity NPD8808 Approved
0.8889 High Similarity NPD9019 Approved
0.8 Intermediate Similarity NPD9018 Approved
0.8 Intermediate Similarity NPD9017 Approved
0.7885 Intermediate Similarity NPD8785 Approved
0.7843 Intermediate Similarity NPD8871 Approved
0.7843 Intermediate Similarity NPD8872 Phase 3
0.7547 Intermediate Similarity NPD8851 Phase 1
0.75 Intermediate Similarity NPD8804 Approved
0.75 Intermediate Similarity NPD8805 Approved
0.7455 Intermediate Similarity NPD8980 Approved
0.7455 Intermediate Similarity NPD8981 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD8979 Approved
0.7347 Intermediate Similarity NPD8798 Approved
0.7258 Intermediate Similarity NPD9451 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD8866 Approved
0.7255 Intermediate Similarity NPD8867 Approved
0.7193 Intermediate Similarity NPD8865 Approved
0.7193 Intermediate Similarity NPD9433 Approved
0.7143 Intermediate Similarity NPD9454 Approved
0.7119 Intermediate Similarity NPD9014 Approved
0.7115 Intermediate Similarity NPD8614 Approved
0.7097 Intermediate Similarity NPD9421 Phase 1
0.7021 Intermediate Similarity NPD8623 Phase 1
0.7 Intermediate Similarity NPD9676 Phase 3
0.6957 Remote Similarity NPD8210 Phase 3
0.6957 Remote Similarity NPD8211 Approved
0.6923 Remote Similarity NPD8850 Approved
0.6897 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6897 Remote Similarity NPD9438 Approved
0.6897 Remote Similarity NPD9439 Approved
0.6885 Remote Similarity NPD9045 Approved
0.6885 Remote Similarity NPD9048 Approved
0.6885 Remote Similarity NPD9047 Approved
0.6885 Remote Similarity NPD9046 Phase 3
0.6863 Remote Similarity NPD8610 Approved
0.6818 Remote Similarity NPD6944 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1825 Clinical (unspecified phase)
0.6731 Remote Similarity NPD8801 Approved
0.6731 Remote Similarity NPD8982 Approved
0.6667 Remote Similarity NPD8971 Approved
0.6667 Remote Similarity NPD8624 Approved
0.6667 Remote Similarity NPD9201 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8946 Approved
0.6667 Remote Similarity NPD9021 Approved
0.6667 Remote Similarity NPD8802 Approved
0.6667 Remote Similarity NPD8947 Approved
0.6604 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6562 Remote Similarity NPD9232 Phase 2
0.6562 Remote Similarity NPD9233 Phase 3
0.6562 Remote Similarity NPD9231 Phase 3
0.6508 Remote Similarity NPD348 Approved
0.6471 Remote Similarity NPD9217 Clinical (unspecified phase)
0.6429 Remote Similarity NPD9441 Phase 2
0.6406 Remote Similarity NPD8952 Approved
0.6377 Remote Similarity NPD632 Discontinued
0.6316 Remote Similarity NPD9205 Approved
0.6316 Remote Similarity NPD9204 Approved
0.6316 Remote Similarity NPD8849 Clinical (unspecified phase)
0.6308 Remote Similarity NPD886 Clinical (unspecified phase)
0.6308 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6308 Remote Similarity NPD8868 Approved
0.6296 Remote Similarity NPD8972 Approved
0.6296 Remote Similarity NPD8973 Approved
0.629 Remote Similarity NPD9656 Approved
0.6275 Remote Similarity NPD8215 Approved
0.6275 Remote Similarity NPD8609 Approved
0.6275 Remote Similarity NPD8214 Approved
0.6275 Remote Similarity NPD8217 Clinical (unspecified phase)
0.6275 Remote Similarity NPD8216 Approved
0.6212 Remote Similarity NPD337 Discontinued
0.6212 Remote Similarity NPD4241 Registered
0.6207 Remote Similarity NPD631 Approved
0.6207 Remote Similarity NPD630 Approved
0.6182 Remote Similarity NPD8873 Approved
0.6176 Remote Similarity NPD2262 Clinical (unspecified phase)
0.614 Remote Similarity NPD8846 Approved
0.614 Remote Similarity NPD8847 Approved
0.614 Remote Similarity NPD61 Approved
0.6119 Remote Similarity NPD4242 Approved
0.6111 Remote Similarity NPD9020 Approved
0.6087 Remote Similarity NPD1147 Phase 2
0.6061 Remote Similarity NPD8842 Clinical (unspecified phase)
0.6027 Remote Similarity NPD617 Approved
0.6 Remote Similarity NPD366 Approved
0.6 Remote Similarity NPD8209 Phase 2
0.6 Remote Similarity NPD8208 Clinical (unspecified phase)
0.5965 Remote Similarity NPD9025 Approved
0.5821 Remote Similarity NPD375 Phase 2
0.5797 Remote Similarity NPD2220 Clinical (unspecified phase)
0.5789 Remote Similarity NPD9230 Discontinued
0.5781 Remote Similarity NPD574 Approved
0.5778 Remote Similarity NPD7371 Approved
0.5775 Remote Similarity NPD9109 Discontinued
0.5763 Remote Similarity NPD3215 Phase 1
0.5741 Remote Similarity NPD9062 Phase 2
0.5692 Remote Similarity NPD575 Clinical (unspecified phase)
0.569 Remote Similarity NPD3214 Discontinued

Structure

External Identifiers

PubChem CID   5962;71774817
ChEMBL   CHEMBL8085
ZINC  

Physicochemical Properties

Molecular Weight:  146.11
ALogP:  -2.7491
MLogP:  1.68
XLogP:  -2.949
# Rotatable Bonds:  8
Polar Surface Area:  89.34
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  10

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs