BioLiP

PDB

BioLiP

PDB CCD ID:

CSJ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3 S

InChI:

InChI=1S/C10H12N2O3S/c11-7-4-2-1-3-6(7)10(15)16-5-8(12)9(13)14/h1-4,8H,5,11-12H2,(H,13,14)/t8-/m0/s1

InChIKey:

BYVARANRNFXKPH-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CSC(=O)c1ccccc1N
CACTVS 3.341	N[CH](CSC(=O)c1ccccc1N)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)SCC(C(=O)O)N)N
CACTVS 3.341	N[C@@H](CSC(=O)c1ccccc1N)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N

Name:

S-[(2-aminophenyl)carbonyl]-L-cysteine

ZINC:

ZINC000058638350

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).