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BioLiP

PDB CCD ID: KKG
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O3
InChI: InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
InChIKey: BBBICQPTZBHLBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CN1C=Nc2ccccc2C1=O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O
ACDLabs 12.01C(CN1C=Nc2c(C1=O)cccc2)(O)=O
Name:(4-oxoquinazolin-3(4H)-yl)acetic acid
ChEMBL: CHEMBL1471153
ZINC: ZINC000000141049
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).
  • 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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