SEQ2FUN

BioLiP

PDB CCD ID: 5WU
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3
InChIKey: NUFKJJIXCWBCHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nn(CCO)c2CCCC(=O)c12
OpenEye OEToolkits 2.0.4Cc1c2c(n(n1)CCO)CCCC2=O
Name:1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one
ChEMBL: CHEMBL1334347
ZINC: ZINC000000551826

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).