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BioLiP

PDB CCD ID: 1FF
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey: MXGOKNNGBUOAGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1c(c(cn1)C(=O)O)c2ccccc2
ACDLabs 12.01O=C(O)c2c(c1ccccc1)n(nc2)C
CACTVS 3.370Cn1ncc(C(O)=O)c1c2ccccc2
Name:1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
ChEMBL: CHEMBL2326886
ZINC: ZINC000000159056
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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