Ligand name: OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE
PDB ligand accession: SHH
DrugBank: DB02546
PubChem: 5311
ChEMBL: CHEMBL98
InChI Key: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: None

List of proteins that are targets for DB02546

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A5H660_SHH	A5H660	n/a
2	Q70I53_SHH	Q70I53	n/a	Ki(nM) = 1000.0 IC50(nM) = 1000.0 Kd(nM) = 300.0
3	F1QCV2_SHH	F1QCV2	n/a
4	O15379_SHH	O15379	inhibitor	Ki(nM) = 1.7 IC50(nM) = 1.4
5	Q8WUI4_SHH	Q8WUI4	inhibitor	Ki(nM) = 129.0 IC50(nM) = 1.0 Kd(nM) = 36000.0
6	Q13547_SHH	Q13547	inhibitor	Ki(nM) = 1.9 IC50(nM) = 0.23 Kd(nM) = 40.0 EC50(nM) = 180.0
7	P09960_SHH	P09960	n/a	IC50(nM) = 1670.0
8	Q9BY41_SHH	Q9BY41	n/a	inhibitor	Ki(nM) = 173.0 IC50(nM) = 1.0 Kd(nM) = 580.0
9	Q92769_SHH	Q92769	inhibitor	Ki(nM) = 7.0 IC50(nM) = 1.7 Kd(nM) = 163.0
10	O67135_SHH	O67135	n/a
11	A7YT55_SHH	A7YT55	n/a
12	Q9UBN7_SHH	Q9UBN7	inhibitor	Ki(nM) = 1.0 IC50(nM) = 1.4 Kd(nM) = 300.0 EC50(nM) = 22.0