SEQ2FUN

BioLiP

PDB CCD ID: EES
Number of entries in BioLiP: 2
Chemical formula: C13 H9 Cl N2 O2
InChI: InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKey: ZNHQDSBJVFFIAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1c3cc(O)ccc3nn1c2ccc(O)cc2
CACTVS 3.341Oc1ccc(cc1)n2nc3ccc(O)cc3c2Cl
OpenEye OEToolkits 1.5.0c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O
Name:3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
ChEMBL: CHEMBL180071
DrugBank: DB07708
ZINC: ZINC000013609473
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).