SEQ2FUN

BioLiP

PDB CCD ID: KN2
Number of entries in BioLiP: 2
Chemical formula: C13 H10 N2 O3
InChI: InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
InChIKey: WLDZDEMGKFWJNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23
ACDLabs 10.04n2c(c1ccc(O)cc1n2)c3ccc(O)cc3O
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O
Name:4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
ChEMBL: CHEMBL223026
DrugBank: DB08048
ZINC: ZINC000013586321
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).