BioLiP

PDB

BioLiP

PDB CCD ID:

460

Number of entries in BioLiP:

Chemical formula:

C17 H15 N5

InChI:

InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3

InChIKey:

YRBHUKMLAGQYHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4
CACTVS 3.341	Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3
ACDLabs 10.04	n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C

Name:

2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE;
NAPHTHYRIDINE INHIBITOR

DrugBank:

DB04434

ZINC:

ZINC000012504353

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).