BioLiP

PDB

BioLiP

PDB CCD ID:

CY4

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O3 S

InChI:

InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1

InChIKey:

QARMATOLSBVIJD-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCC(=O)SCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSC(=O)CCC
CACTVS 3.341	CCCC(=O)SC[C@H](N)C(O)=O
CACTVS 3.341	CCCC(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCC(=O)SC[C@@H](C(=O)O)N

Name:

S-BUTYRYL-CYSTEIN

DrugBank:

DB02160

ZINC:

ZINC000006777921

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).