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BioLiP

PDB CCD ID: QHN
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2 O2
InChI: InChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
InChIKey: GOFLYUKBUGVGJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cnn(c2ccccc2)c1C3CC3
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3
Name:5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid
ChEMBL: CHEMBL4867889
ZINC: ZINC000012879700
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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