Natural Product: NPC219143

Natural Product ID:  NPC219143
Common Name:   Serine
IUPAC Name:   (2S)-2-azaniumyl-3-hydroxypropanoate
Synonyms:   Serine
Molecular Formula:   C3H7NO3
Standard InCHIKey:  MTCFGRXMJLQNBG-REOHCLBHSA-N
Standard InCHI:  InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
Canonical SMILES:  OC[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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[24023812]
NPO2831 Cornu saigae tataricae NA NA NA TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21359215]
NPO26323 Radix liriopes Species Lymnaeidae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[12834252]
NPO5939 Semen sojae praeparata NA NA NA TCMID*
NPO19048 Pinellia ternata Species Araceae Eukaryota HerDing*
NPO19048 Pinellia ternata Species Araceae Eukaryota TCMID*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO16585 Sonchus microcarpus Species Asteraceae Eukaryota UNPD*
NPO8992 Strychnos diplotricha Species Loganiaceae Eukaryota UNPD*
NPO3933 Lilium hansonii Species Liliaceae Eukaryota UNPD*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO5800 Radix salviae Species Lymnaeidae Eukaryota TCMSP*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO27952 Rhizoma dioscoreae NA NA NA TCMSP*
NPO2088 Bamusaeconcretiosilicea NA NA NA TCMSP*
NPO7103 Allium sativum Species Amaryllidaceae Eukaryota TM-MC*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO14964 Calvatia gigantea Species Lycoperdaceae Eukaryota TM-MC*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota TM-MC*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO21845 Calvatia fenzlii Species Lycoperdaceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO15485 Shorea uliginosa Species Dipterocarpaceae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO29390 Semen juglandis NA NA NA TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[23940645]
NPO15147 Ficus simplicissima Species Moraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 700000 nM 12729634
NPT2 Others Unspecified Kd = 160000 nM 17230192
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 100000 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 63095.7 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 1000 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 11.2 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 19952.6 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 39810.72 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 354.8 nM PubChem BioAssay data set
NPT1006 Individual Protein Proton-coupled amino acid transporter 1 Homo sapiens Ki = 35000000 nM 21955456
NPT2 Others Unspecified Ratio Ki = 10 10.1007/s00044-004-0112-9
NPT5242 Individual Protein Gamma-glutamyltranspeptidase Loa loa Ki = 400000 nM 10.1007/s00044-004-0112-9
NPT4187 Individual Protein Gamma-glutamyltranspeptidase 1 Rattus norvegicus Ki = 50000 nM 10.1007/s00044-004-0112-9
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT67 Individual Protein Cholinesterase Equus caballus IC50 = 16 nM 25980913
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus IC50 = 15 nM 25980913

  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 NPC219143 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 NPC226265
0.8444 Intermediate Similarity NPC270805
0.8444 Intermediate Similarity NPC93888
0.8409 Intermediate Similarity NPC181588
0.8205 Intermediate Similarity NPC21290
0.8205 Intermediate Similarity NPC272614
0.8205 Intermediate Similarity NPC116709
0.8043 Intermediate Similarity NPC286989
0.8 Intermediate Similarity NPC63621
0.7917 Intermediate Similarity NPC329495
0.7907 Intermediate Similarity NPC107645
0.7447 Intermediate Similarity NPC327542
0.7442 Intermediate Similarity NPC121517
0.7442 Intermediate Similarity NPC326992
0.7442 Intermediate Similarity NPC326212
0.7442 Intermediate Similarity NPC53449
0.7442 Intermediate Similarity NPC168375
0.7442 Intermediate Similarity NPC237525
0.7391 Intermediate Similarity NPC309658
0.7273 Intermediate Similarity NPC317691
0.7273 Intermediate Similarity NPC326808
0.7273 Intermediate Similarity NPC110533
0.7273 Intermediate Similarity NPC254482
0.7234 Intermediate Similarity NPC136159
0.717 Intermediate Similarity NPC43169
0.717 Intermediate Similarity NPC112224
0.717 Intermediate Similarity NPC93861
0.717 Intermediate Similarity NPC327895
0.7111 Intermediate Similarity NPC167986
0.7111 Intermediate Similarity NPC291186
0.7 Intermediate Similarity NPC114517
0.6957 Remote Similarity NPC325097
0.6957 Remote Similarity NPC126925
0.6957 Remote Similarity NPC132307
0.6957 Remote Similarity NPC198301
0.6842 Remote Similarity NPC126681
0.6809 Remote Similarity NPC327698
0.6809 Remote Similarity NPC329263
0.6809 Remote Similarity NPC118459
0.6809 Remote Similarity NPC285322
0.6809 Remote Similarity NPC208793
0.675 Remote Similarity NPC145217
0.675 Remote Similarity NPC84444
0.6667 Remote Similarity NPC66043
0.6667 Remote Similarity NPC185755
0.6667 Remote Similarity NPC49952
0.6667 Remote Similarity NPC136476
0.6667 Remote Similarity NPC213876
0.6667 Remote Similarity NPC297220
0.6667 Remote Similarity NPC228932
0.6531 Remote Similarity NPC118187
0.6531 Remote Similarity NPC316168
0.6531 Remote Similarity NPC204364
0.6512 Remote Similarity NPC9294
0.6415 Remote Similarity NPC60672
0.6415 Remote Similarity NPC322091
0.64 Remote Similarity NPC140872
0.64 Remote Similarity NPC318523
0.64 Remote Similarity NPC93081
0.64 Remote Similarity NPC153370
0.6275 Remote Similarity NPC324825
0.6275 Remote Similarity NPC245027
0.6275 Remote Similarity NPC62045
0.6275 Remote Similarity NPC112890
0.6275 Remote Similarity NPC43204
0.6275 Remote Similarity NPC152451
0.6275 Remote Similarity NPC174246
0.6275 Remote Similarity NPC193989
0.6275 Remote Similarity NPC226027
0.6275 Remote Similarity NPC84636
0.6275 Remote Similarity NPC162620
0.6275 Remote Similarity NPC316231
0.6275 Remote Similarity NPC170739
0.625 Remote Similarity NPC190385
0.6222 Remote Similarity NPC18188
0.6154 Remote Similarity NPC137958
0.6154 Remote Similarity NPC125736
0.6154 Remote Similarity NPC114990
0.6154 Remote Similarity NPC273330
0.6154 Remote Similarity NPC315977
0.6122 Remote Similarity NPC191136
0.6053 Remote Similarity NPC262962
0.6038 Remote Similarity NPC200550
0.6038 Remote Similarity NPC155156
0.6034 Remote Similarity NPC68974
0.6 Remote Similarity NPC2801
0.5968 Remote Similarity NPC118524
0.5962 Remote Similarity NPC328378
0.5952 Remote Similarity NPC313303
0.5926 Remote Similarity NPC197087
0.5926 Remote Similarity NPC317815
0.5926 Remote Similarity NPC190184
0.5909 Remote Similarity NPC134570
0.5849 Remote Similarity NPC295832
0.5849 Remote Similarity NPC198398
0.5849 Remote Similarity NPC27359
0.5849 Remote Similarity NPC319175
0.5833 Remote Similarity NPC105488
0.5818 Remote Similarity NPC279661
0.5818 Remote Similarity NPC321118
0.5818 Remote Similarity NPC183845
0.5818 Remote Similarity NPC316889
0.5818 Remote Similarity NPC145235
0.5738 Remote Similarity NPC106216
0.5738 Remote Similarity NPC88898
0.5714 Remote Similarity NPC141902
0.5714 Remote Similarity NPC276294
0.5714 Remote Similarity NPC102815
0.5714 Remote Similarity NPC10915
0.5714 Remote Similarity NPC327831
0.5686 Remote Similarity NPC198196
0.5652 Remote Similarity NPC216443
0.5652 Remote Similarity NPC69179
0.5614 Remote Similarity NPC325985
0.5614 Remote Similarity NPC38463
0.5606 Remote Similarity NPC315199
0.56 Remote Similarity NPC323974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC219143 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 NPD8217 Clinical (unspecified phase)
1.0 High Similarity NPD8216 Approved
0.8444 Intermediate Similarity NPD8624 Approved
0.8409 Intermediate Similarity NPD8810 Clinical (unspecified phase)
0.8205 Intermediate Similarity NPD8210 Phase 3
0.8205 Intermediate Similarity NPD8211 Approved
0.7273 Intermediate Similarity NPD8214 Approved
0.7273 Intermediate Similarity NPD8215 Approved
0.7143 Intermediate Similarity NPD9025 Approved
0.7111 Intermediate Similarity NPD8804 Approved
0.7111 Intermediate Similarity NPD8805 Approved
0.6957 Remote Similarity NPD8798 Approved
0.6842 Remote Similarity NPD7371 Approved
0.6809 Remote Similarity NPD8610 Approved
0.6667 Remote Similarity NPD8982 Approved
0.6531 Remote Similarity NPD8209 Phase 2
0.6531 Remote Similarity NPD8208 Clinical (unspecified phase)
0.64 Remote Similarity NPD8808 Approved
0.64 Remote Similarity NPD8614 Approved
0.64 Remote Similarity NPD8873 Approved
0.64 Remote Similarity NPD8809 Approved
0.6327 Remote Similarity NPD8801 Approved
0.6316 Remote Similarity NPD7367 Approved
0.6316 Remote Similarity NPD51 Approved
0.6316 Remote Similarity NPD7368 Approved
0.6275 Remote Similarity NPD8802 Approved
0.6275 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6275 Remote Similarity NPD9021 Approved
0.6275 Remote Similarity NPD9044 Approved
0.6275 Remote Similarity NPD8803 Clinical (unspecified phase)
0.6275 Remote Similarity NPD9018 Approved
0.6275 Remote Similarity NPD9017 Approved
0.6271 Remote Similarity NPD1151 Approved
0.625 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6222 Remote Similarity NPD8623 Phase 1
0.617 Remote Similarity NPD8609 Approved
0.6154 Remote Similarity NPD8872 Phase 3
0.6154 Remote Similarity NPD8871 Approved
0.5968 Remote Similarity NPD8842 Clinical (unspecified phase)
0.5952 Remote Similarity NPD8557 Approved
0.5952 Remote Similarity NPD8558 Approved
0.5926 Remote Similarity NPD8851 Phase 1
0.5926 Remote Similarity NPD8849 Clinical (unspecified phase)
0.5926 Remote Similarity NPD8785 Approved
0.5849 Remote Similarity NPD9226 Approved
0.5849 Remote Similarity NPD9225 Phase 3
0.5833 Remote Similarity NPD8197 Approved
0.5833 Remote Similarity NPD8198 Approved
0.5686 Remote Similarity NPD9020 Approved
0.56 Remote Similarity NPD9019 Approved

Structure

External Identifiers

PubChem CID   6857581;5951
ChEMBL   CHEMBL11298
ZINC  

Physicochemical Properties

Molecular Weight:  105.04
ALogP:  -1.5955
MLogP:  1.35
XLogP:  -3.956
# Rotatable Bonds:  5
Polar Surface Area:  83.55
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  7

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