Details of the Drug

General Information of Drug (ID: DMCMOS8)

Drug Name

L-Cysteine

Synonyms

52-90-4; Cystein; Half-cystine; (R)-Cysteine; Thioserine; (R)-2-Amino-3-mercaptopropanoic acid; L-(+)-Cysteine; L-Cystein; (2R)-2-amino-3-sulfanylpropanoic acid; beta-Mercaptoalanine; Half cystine; FREE CYSTEINE; Cysteine, L-; L-Cys; L-Alanine, 3-mercapto-; L-Zystein; H-Cys-OH; Cisteinum [Latin]; L-2-Amino-3-mercaptopropionic acid; Cisteina [Spanish]; cisteina; Polycysteine; Cysteinum; Cisteinum; (R)-2-Amino-3-mercaptopropionic acid; L Cysteine; alpha-Amino-beta-thiolpropionic acid; L-2-Amino-3-mercaptopropanoic a

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Clinical trial	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

121.16

Topological Polar Surface Area (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C3H7NO2S
IUPAC Name: (2R)-2-amino-3-sulfanylpropanoic acid
Canonical SMILES: C([C@@H](C(=O)O)N)S
InChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey: XUJNEKJLAYXESH-REOHCLBHSA-N

Cross-matching ID

PubChem CID: 5862
ChEBI ID: CHEBI:17561
CAS Number: 52-90-4
DrugBank ID: DB00151
TTD ID: D0L4VI
INTEDE ID: DR2105

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Glutamate-cysteine ligase catalytic (GCLC)	DESYL1F	GSH1_HUMAN	Substrate	[2]
Glutamate-cysteine ligase regulatory (GCLM)	DEEBDFT	GSH0_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4782).
2	The enzymes of glutathione synthesis: gamma-glutamylcysteine synthetase. Adv Enzymol Relat Areas Mol Biol. 1999;73:209-67, xii.