Natural Product: NPC326808

Natural Product ID:  NPC326808
Common Name:   Cysteine
IUPAC Name:   2-azaniumyl-3-sulfanylpropanoate
Synonyms:   Cysteine
Molecular Formula:   C3H7NO2S
Standard InCHIKey:  XUJNEKJLAYXESH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
Canonical SMILES:  NC(C(=O)O)CS
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 PMID[21886157]
NPO19866 Arabidopsis thaliana Species Brassicaceae Eukaryota PMID[24285094]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[25181601]
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 0.91 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 0.8 1732527
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 0.36 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 0.72 1732527
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 0.78 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 0.84 1732527
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 0.25 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 1.14 1732527
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 0.29 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 0.97 1732527
NPT4948 Individual Protein Glutathione S-transferase kappa 1 Homo sapiens Activity = 5.51 uM min-1 (mg of protein)-1 1732527
NPT5821 Individual Protein Glutathione S-transferase Mu 1 Mus musculus Ratio = 1.08 1732527
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 2818.4 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 17782.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 50118.7 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 5623.4 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 3162.3 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 40533.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 106.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set

  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 NPC326808 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 NPC317691
1.0 High Similarity NPC254482
1.0 High Similarity NPC110533
0.9048 High Similarity NPC49952
0.9048 High Similarity NPC136476
0.8605 High Similarity NPC213876
0.8605 High Similarity NPC228932
0.8605 High Similarity NPC185755
0.8409 Intermediate Similarity NPC204364
0.8409 Intermediate Similarity NPC118187
0.8222 Intermediate Similarity NPC318523
0.8205 Intermediate Similarity NPC21290
0.8205 Intermediate Similarity NPC116709
0.8205 Intermediate Similarity NPC272614
0.8043 Intermediate Similarity NPC170739
0.8043 Intermediate Similarity NPC193989
0.8043 Intermediate Similarity NPC152451
0.8 Intermediate Similarity NPC63621
0.7955 Intermediate Similarity NPC191136
0.7872 Intermediate Similarity NPC319175
0.7872 Intermediate Similarity NPC125736
0.7872 Intermediate Similarity NPC114990
0.7551 Intermediate Similarity NPC317815
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
0.74 Intermediate Similarity NPC145235
0.7391 Intermediate Similarity NPC198196
0.7391 Intermediate Similarity NPC306238
0.7391 Intermediate Similarity NPC248970
0.7273 Intermediate Similarity NPC226265
0.7273 Intermediate Similarity NPC219143
0.7255 Intermediate Similarity NPC102815
0.7111 Intermediate Similarity NPC167986
0.7111 Intermediate Similarity NPC291186
0.7 Intermediate Similarity NPC114517
0.6981 Remote Similarity NPC82239
0.6981 Remote Similarity NPC283786
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
0.6667 Remote Similarity NPC66043
0.6667 Remote Similarity NPC309658
0.6667 Remote Similarity NPC297220
0.6607 Remote Similarity NPC321419
0.6579 Remote Similarity NPC320704
0.6552 Remote Similarity NPC289691
0.6531 Remote Similarity NPC181588
0.6531 Remote Similarity NPC136159
0.6531 Remote Similarity NPC316168
0.6512 Remote Similarity NPC9294
0.6441 Remote Similarity NPC174304
0.6441 Remote Similarity NPC325597
0.64 Remote Similarity NPC140872
0.64 Remote Similarity NPC93081
0.64 Remote Similarity NPC153370
0.6275 Remote Similarity NPC324825
0.6275 Remote Similarity NPC245027
0.6275 Remote Similarity NPC286989
0.6275 Remote Similarity NPC62045
0.6275 Remote Similarity NPC112890
0.6275 Remote Similarity NPC43204
0.6275 Remote Similarity NPC174246
0.6275 Remote Similarity NPC93888
0.6275 Remote Similarity NPC226027
0.6275 Remote Similarity NPC84636
0.6275 Remote Similarity NPC162620
0.6275 Remote Similarity NPC316231
0.6275 Remote Similarity NPC270805
0.6222 Remote Similarity NPC18188
0.6154 Remote Similarity NPC137958
0.6154 Remote Similarity NPC315977
0.6154 Remote Similarity NPC273330
0.6038 Remote Similarity NPC200550
0.6038 Remote Similarity NPC155156
0.5962 Remote Similarity NPC328378
0.5926 Remote Similarity NPC197087
0.5926 Remote Similarity NPC329495
0.5926 Remote Similarity NPC190184
0.5909 Remote Similarity NPC134570
0.5873 Remote Similarity NPC319046
0.5818 Remote Similarity NPC322091
0.5818 Remote Similarity NPC279661
0.5818 Remote Similarity NPC321118
0.5818 Remote Similarity NPC183845
0.5818 Remote Similarity NPC316889
0.5818 Remote Similarity NPC60672
0.5781 Remote Similarity NPC126779
0.5758 Remote Similarity NPC315897
0.5714 Remote Similarity NPC276294
0.5714 Remote Similarity NPC327831
0.5714 Remote Similarity NPC2801
0.5714 Remote Similarity NPC10915
0.5714 Remote Similarity NPC107645
0.5714 Remote Similarity NPC16947
0.5652 Remote Similarity NPC69179
0.5652 Remote Similarity NPC216443
0.5614 Remote Similarity NPC325985
0.5614 Remote Similarity NPC38463
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 NPC326808 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 NPD8214 Approved
1.0 High Similarity NPD8215 Approved
0.8605 High Similarity NPD8982 Approved
0.8222 Intermediate Similarity NPD8873 Approved
0.8205 Intermediate Similarity NPD8210 Phase 3
0.8205 Intermediate Similarity NPD8211 Approved
0.8043 Intermediate Similarity NPD8802 Approved
0.8043 Intermediate Similarity NPD8803 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD9021 Approved
0.7872 Intermediate Similarity NPD9025 Approved
0.7778 Intermediate Similarity NPD8801 Approved
0.7551 Intermediate Similarity NPD8849 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD9020 Approved
0.7391 Intermediate Similarity NPD8870 Approved
0.7273 Intermediate Similarity NPD8216 Approved
0.7273 Intermediate Similarity NPD8217 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD8804 Approved
0.7111 Intermediate Similarity NPD8805 Approved
0.7083 Intermediate Similarity NPD9214 Phase 3
0.7083 Intermediate Similarity NPD9213 Approved
0.6957 Remote Similarity NPD8798 Approved
0.6852 Remote Similarity NPD8848 Approved
0.6842 Remote Similarity NPD7371 Approved
0.6809 Remote Similarity NPD8610 Approved
0.6735 Remote Similarity NPD8577 Discontinued
0.6596 Remote Similarity NPD8869 Approved
0.6531 Remote Similarity NPD8209 Phase 2
0.6531 Remote Similarity NPD8208 Clinical (unspecified phase)
0.6531 Remote Similarity NPD8810 Clinical (unspecified phase)
0.6471 Remote Similarity NPD329 Discontinued
0.6441 Remote Similarity NPD348 Approved
0.64 Remote Similarity NPD8808 Approved
0.64 Remote Similarity NPD8614 Approved
0.64 Remote Similarity NPD8809 Approved
0.6316 Remote Similarity NPD7367 Approved
0.6316 Remote Similarity NPD51 Approved
0.6316 Remote Similarity NPD7368 Approved
0.6275 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6275 Remote Similarity NPD8624 Approved
0.6275 Remote Similarity NPD9044 Approved
0.6275 Remote Similarity NPD9018 Approved
0.6275 Remote Similarity NPD9017 Approved
0.6226 Remote Similarity NPD9420 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 NPD886 Clinical (unspecified phase)
0.5926 Remote Similarity NPD8851 Phase 1
0.5926 Remote Similarity NPD8785 Approved
0.5873 Remote Similarity NPD4241 Registered
0.5873 Remote Similarity NPD9452 Clinical (unspecified phase)
0.5873 Remote Similarity NPD337 Discontinued
0.5781 Remote Similarity NPD4242 Approved
0.5763 Remote Similarity NPD902 Approved
0.5758 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5636 Remote Similarity NPD9386 Approved
0.5606 Remote Similarity NPD2262 Clinical (unspecified phase)
0.56 Remote Similarity NPD9019 Approved

Structure

External Identifiers

PubChem CID   5260155;594
ChEMBL   CHEMBL54943
ZINC  

Physicochemical Properties

Molecular Weight:  121.02
ALogP:  -0.6242
MLogP:  1.35
XLogP:  -2.575
# Rotatable Bonds:  5
Polar Surface Area:  102.12
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  7

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Similar NPs/Drugs