BioLiP

PDB

BioLiP

PDB CCD ID:

6ZP

Number of entries in BioLiP:

Chemical formula:

C23 H15 N3 O

InChI:

InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H

InChIKey:

PRMWGUBFXWROHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4
CACTVS 3.385	O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
ACDLabs 12.01	N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4

Name:

2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile

ChEMBL:

CHEMBL1214124

DrugBank:

DB08883

ZINC:

ZINC000030691797

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).