BioLiP

PDB

BioLiP

PDB CCD ID:

IQA

Number of entries in BioLiP:

Chemical formula:

C17 H12 N2 O3

InChI:

InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)

InChIKey:

INSBKYCYLCEBOD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O
ACDLabs 10.04	O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34

Name:

(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID

ChEMBL:

CHEMBL92361

DrugBank:

DB01765

ZINC:

ZINC000002047511

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).