SEQ2FUN

BioLiP

PDB CCD ID: LT8
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
InChIKey: MHACZVWKWUMHRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1n2cccn2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)O)n2cccn2
Name:2-pyrazol-1-ylbenzoic acid
ChEMBL: CHEMBL4550663
ZINC: ZINC000002506147
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).