BioLiP

PDB

BioLiP

PDB CCD ID:

VNF

Number of entries in BioLiP:

Chemical formula:

C24 H20 Cl N3 O

InChI:

InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1

InChIKey:

CIFIVCCKVZFJFT-QHCPKHFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl
CACTVS 3.352	Clc1ccc(cc1)c2ccc(cc2)C(=O)N[C@@H](Cn3ccnc3)c4ccccc4
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C(Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl
CACTVS 3.352	Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc3)c4ccccc4

Name:

4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide

ChEMBL:

CHEMBL1236676

ZINC:

ZINC000034629627

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).