BioLiP

PDB

BioLiP

PDB CCD ID:

MZL

Number of entries in BioLiP:

Chemical formula:

C22 H19 N5 O

InChI:

InChI=1S/C22H19N5O/c1-2-19-13-21(16-5-3-11-23-14-16)26-27(19)20-9-7-18(8-10-20)25-22(28)17-6-4-12-24-15-17/h3-15H,2H2,1H3,(H,25,28)

InChIKey:

CCAFHMPMIJBDRP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1cccnc1)Nc2ccc(cc2)n3nc(cc3CC)c4cccnc4
OpenEye OEToolkits 1.7.0	CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4
CACTVS 3.370	CCc1cc(nn1c2ccc(NC(=O)c3cccnc3)cc2)c4cccnc4

Name:

N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide

ChEMBL:

CHEMBL1234565

ZINC:

ZINC000058649974

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).