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BioLiP

PDB CCD ID: EWD
Number of entries in BioLiP: 4
Chemical formula: C16 H12 N2 O3
InChI: InChI=1S/C16H12N2O3/c19-16(20)14-8-11(12-9-17-18-10-12)6-7-15(14)21-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20)
InChIKey: GTIPHUDSAYUQQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3
ACDLabs 12.01c1(cc(c(cc1)Oc2ccccc2)C(O)=O)c3cnnc3
CACTVS 3.385OC(=O)c1cc(ccc1Oc2ccccc2)c3c[nH]nc3
Name:2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid
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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