SEQ2FUN

BioLiP

PDB CCD ID: EI1
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2 O2
InChI: InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
InChIKey: XBMVVMYGKMGLJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCc1c2cc(ccc2nn1c3ccc(cc3)O)O
ACDLabs 10.04Oc3ccc(n2nc1ccc(O)cc1c2CC)cc3
CACTVS 3.341CCc1n(nc2ccc(O)cc12)c3ccc(O)cc3
Name:3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
ChEMBL: CHEMBL180517
DrugBank: DB07712
ZINC: ZINC000013609494
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).