BioLiP

PDB

BioLiP

PDB CCD ID:

A1EY3

Number of entries in BioLiP:

Chemical formula:

C16 H13 F N2 S

InChI:

InChI=1S/C16H13FN2S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(18)16-19-9-10-20-16/h1-10,15H,18H2/t15-/m1/s1

InChIKey:

AJZPKLAJMBTWQD-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2ccc(cc2)C(c3nccs3)N)F
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2ccc(cc2)[C@H](c3nccs3)N)F
CACTVS 3.385	N[CH](c1ccc(cc1)c2ccccc2F)c3sccn3
CACTVS 3.385	N[C@H](c1ccc(cc1)c2ccccc2F)c3sccn3

Name:

(~{R})-[4-(2-fluorophenyl)phenyl]-(1,3-thiazol-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).