BioLiP

PDB

BioLiP

PDB CCD ID:

CY1

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3 S

InChI:

InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey:

QFQYGJMNIDGZSG-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)NCSC[C@@H](C(=O)O)N
CACTVS 3.341	CC(=O)NCSC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(NCSCC(C(=O)O)N)C
OpenEye OEToolkits 1.5.0	CC(=O)NCSCC(C(=O)O)N
CACTVS 3.341	CC(=O)NCSC[CH](N)C(O)=O

Name:

ACETAMIDOMETHYLCYSTEINE

ZINC:

ZINC000001806064

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).