BioLiP

PDB

BioLiP

PDB CCD ID:

U3E

Number of entries in BioLiP:

Chemical formula:

C21 H18 N4 O2

InChI:

InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-11-16(8-9-23-19)21(27)24-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26)

InChIKey:

PXMDNOCHJZJAFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1cc(ccn1)C(=O)Nc2cncc(c2)c3ccccc3)C4CC4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(cnc2)NC(=O)c3ccnc(c3)NC(=O)C4CC4
ACDLabs 12.01	O=C(Nc1cc(ccn1)C(=O)Nc1cc(cnc1)c1ccccc1)C1CC1

Name:

2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide

ChEMBL:

CHEMBL5284249

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).