SEQ2FUN

BioLiP

PDB CCD ID: W3U
Number of entries in BioLiP: 13
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
InChIKey: KGDOHXYALMXHLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cnn(Cc2ccccc2)c1
ACDLabs 12.01O=C(O)c1cn(Cc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cn2cc(cn2)C(=O)O
Name:1-benzyl-1H-pyrazole-4-carboxylic acid
ZINC: ZINC000002559736
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).