BioLiP

PDB

BioLiP

PDB CCD ID:

G8T

Number of entries in BioLiP:

Chemical formula:

C17 H21 N O S

InChI:

InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1

InChIKey:

KDPCPEKIGGUZRH-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O
CACTVS 3.385	CC([C@H](O)NCCS)(c1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.6	CC(c1ccccc1)(c2ccccc2)C(NCCS)O
CACTVS 3.385	CC([CH](O)NCCS)(c1ccccc1)c2ccccc2

Name:

(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol

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).