BioLiP

PDB

BioLiP

PDB CCD ID:

NYB

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2 S

InChI:

InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1

InChIKey:

UXCFOODULRZHMV-RQJHMYQMSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC[C@@H](C)SC[C@H](NC)C(O)=O
OpenEye OEToolkits 1.6.1	CCC(C)SCC(C(=O)O)NC
CACTVS 3.352	CC[CH](C)SC[CH](NC)C(O)=O
ACDLabs 10.04	O=C(O)C(NC)CSC(CC)C
OpenEye OEToolkits 1.6.1	CC[C@@H](C)SC[C@@H](C(=O)O)NC

Name:

N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE

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).