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BioLiP

PDB CCD ID: IQA
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.341OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O
ACDLabs 10.04O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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