BioLiP

PDB

BioLiP

PDB CCD ID:

B2D

Number of entries in BioLiP:

Chemical formula:

C21 H17 N7 O

InChI:

InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)

InChIKey:

GZLYPLRRKZCYLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1
ACDLabs 11.02	n1nc4ccc(nn4c1CNc2c3ncc(OC)cc3ncc2)c5ccccc5
CACTVS 3.352	COc1cnc2c(NCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1

Name:

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine

ChEMBL:

CHEMBL566875

ZINC:

ZINC000045245260

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).