SEQ2FUN

BioLiP

PDB CCD ID: OFI
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N3 O2
InChI: InChI=1S/C17H17N3O2/c1-2-3-16(22)18-17-14-9-6-12(10-15(14)19-20-17)11-4-7-13(21)8-5-11/h4-10,21H,2-3H2,1H3,(H2,18,19,20,22)
InChIKey: VCIZMGNKKFEEHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCCC(=O)Nc1n[nH]c2cc(ccc12)c3ccc(O)cc3
OpenEye OEToolkits 1.7.0CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O
Name:N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
ChEMBL: CHEMBL1082237
ZINC: ZINC000044460258
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).