BioLiP

PDB

BioLiP

PDB CCD ID:

V85

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O S

InChI:

InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1

InChIKey:

TVHPOGBEVUIJPE-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(C(=O)Nc2ccccc2)S
CACTVS 3.385	S[C@H](Cc1ccccc1)C(=O)Nc2ccccc2
CACTVS 3.385	S[CH](Cc1ccccc1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S

Name:

(2R)-N,3-diphenyl-2-sulfanyl-propanamide;
N,3-diphenyl-2-sulfanylpropanamide;
113905928

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).