Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHeme oxygenase 1
LigandBDBM50044424
Substrate/Competitorn/a
Meas. Tech.ChEMBL_976175 (CHEMBL2415824)
IC50 5500±n/a nM
Citation Salerno, LPittalà, VRomeo, GModica, MNSiracusa, MADi Giacomo, CAcquaviva, RBarbagallo, ITibullo, DSorrenti, V Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties. Bioorg Med Chem21:5145-53 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Heme oxygenase 1
Name:Heme oxygenase 1
Synonyms:HMOX1_RAT | HSP32 | Heme Oxygenase 1 (HO-1) | Heme oxygenase 1 | Hmox1
Type:Enzyme
Mol. Mass.:33005.15
Organism:Rattus norvegicus (rat)
Description:HO-1 obtained from rat spleen was used in enzyme assays.
Residue:289
Sequence:
MERPQLDSMSQDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTA
LEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHE
VGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQ
LYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALLTEEHKDQSPSQTEFLRQRP
ASLVQDTTSAETPRGKSQISTSSSQTPLLRWVLTLSFLLATVAVGIYAM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50044424
n/a
NameBDBM50044424
Synonyms:4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlorophenethyl)-1,3-dioxolan-4-yl)methylthio)benzenamine | 4-{(2S,4S)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine | 4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamine | Azalanstat dihydrochloride | CHEMBL70611
TypeSmall organic molecule
Emp. Form.C22H24ClN3O2S
Mol. Mass.429.963
SMILESNc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: