BioLiP

PDB

BioLiP

PDB CCD ID:

C9G

Number of entries in BioLiP:

Chemical formula:

C17 H13 N5 O2

InChI:

InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3

InChIKey:

KANBQBQJUNGFMT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O
ACDLabs 12.01	c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O
CACTVS 3.385	CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4

Name:

2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one

ChEMBL:

CHEMBL4169208

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).