SEQ2FUN

BioLiP

PDB CCD ID: 9FH
Number of entries in BioLiP: 8
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey: USSMIQWDLWJQDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(cnn1c2ccccc2)C(=O)O
CACTVS 3.385Cc1n(ncc1C(O)=O)c2ccccc2
Name:5-methyl-1-phenyl-pyrazole-4-carboxylic acid
ChEMBL: CHEMBL5081820
ZINC: ZINC000000158815
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).