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BioLiP

PDB CCD ID: Q2S
Number of entries in BioLiP: 4
Chemical formula: C15 H11 N O2
InChI: InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
InChIKey: VKHHKQSCGXEKEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3
CACTVS 3.385OC(=O)c1cccc(c1)c2ccc3[nH]ccc3c2
Name:3-(1~{H}-indol-5-yl)benzoic acid
ChEMBL: CHEMBL4167738
ZINC: ZINC000002513025
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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