SEQ2FUN

BioLiP

PDB CCD ID: ZZA
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
InChIKey: ZROILLPDIUNLSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cnn(c1)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)n2cc(cn2)C(=O)O
ACDLabs 10.04O=C(O)c1cn(nc1)c2ccccc2
Name:1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
ChEMBL: CHEMBL406105
DrugBank: DB08790
ZINC: ZINC000004218283
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).