BioLiP

PDB

BioLiP

PDB CCD ID:

A1CC5

Number of entries in BioLiP:

Chemical formula:

C25 H21 N3 O

InChI:

InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)

InChIKey:

KHZOJCQBHJUJFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Cc1cc(ccn1)c1ccc(CC(=O)Nc2ccc(cc2)c2cccnc2)cc1
CACTVS 3.385	Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2
OpenEye OEToolkits 3.1.0.0	Cc1cc(ccn1)c2ccc(cc2)CC(=O)Nc3ccc(cc3)c4cccnc4

Name:

2-[4-(2-methylpyridin-4-yl)phenyl]-N-[4-(pyridin-3-yl)phenyl]acetamide

ChEMBL:

CHEMBL2139947

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).