SEQ2FUN

BioLiP

PDB CCD ID: 583
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N2 O2
InChI: InChI=1S/C15H12N2O2/c18-12-5-1-10(2-6-12)14-9-16-17-15(14)11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
InChIKey: FHGTUVGVZRNUDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2c[nH]nc2c3ccc(O)cc3
ACDLabs 12.01c1(c(nnc1)c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O
Name:4,4'-(1H-pyrazole-3,4-diyl)diphenol
ChEMBL: CHEMBL3604771
ZINC: ZINC000263620412
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).