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BioLiP

PDB CCD ID: 1UR
Number of entries in BioLiP: 2
Chemical formula: C16 H10 O4
InChI: InChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKey: GDILHIUGUNCNDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O
ACDLabs 12.01O=C(O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
CACTVS 3.370OC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Name:4-(4-oxo-4H-chromen-2-yl)benzoic acid
ChEMBL: CHEMBL165822
ZINC: ZINC000005548966
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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