BCS

BENZYLCYSTEINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where BCS is found as a standalone ligand2 entries where BCS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	BENZYLCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-benzylsulfanyl-propanoic acid
Formula	C₁₀ H₁₃ N O₂ S
Molecular Weight	211.281
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSCc1ccccc1
SMILES	CACTVS	3.341	N[CH](CSCc1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CSCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CSCc1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CSC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey	InChI	1.03	GHBAYRBVXCRIHT-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank ID	DB04531
Name	S-Benzylcysteine
Groups	experimental
Synonyms	(R)-S-Benzylcysteine 3-Benzylthioalanine S-Benzylcysteine L-S-Benzylcysteine
Categories	Amino Acids Amino Acids, Neutral Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Sulfhydryl Compounds Sulfur Compounds
CAS number	3054-01-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methylated-DNA--protein-cysteine methyltransferase	MDKDCEMKRTTLDSPLGKLELSGCEQGLHEIKLLGKGTSAADAVEVPAPA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682