BioLiP

PDB

BioLiP

PDB CCD ID:

97K

Number of entries in BioLiP:

Chemical formula:

C15 H10 N4 O

InChI:

InChI=1S/C15H10N4O/c20-15-11-3-1-2-4-13(11)17-14(18-15)9-5-6-12-10(7-9)8-16-19-12/h1-8H,(H,16,19)(H,17,18,20)

InChIKey:

VEKANGQPHIRFNR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4

Name:

2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one

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).