BioLiP

PDB

BioLiP

PDB CCD ID:

A1EY2

Number of entries in BioLiP:

Chemical formula:

C17 H15 N S

InChI:

InChI=1S/C17H15NS/c18-17(16-7-4-12-19-16)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17H,18H2/t17-/m1/s1

InChIKey:

CQWKOKBTUCNXOR-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)[C@H](c3cccs3)N
CACTVS 3.385	N[CH](c1sccc1)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(cc2)C(c3cccs3)N
CACTVS 3.385	N[C@@H](c1sccc1)c2ccc(cc2)c3ccccc3

Name:

(~{R})-(4-phenylphenyl)-thiophen-2-yl-methanamine

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).