Reaction Details Report a problem with these data
Target
Heme oxygenase 1
Ligand
BDBM31682
Substrate
methemalbumin
Meas. Tech.
In Vitro HO Activity Assay
pH
7.4±n/a
IC50
1200±n/a nM
Comments
extracted
Citation
 Vlahakis, JZ; Hum, M; Rahman, MN; Jia, Z; Nakatsu, K; Szarek, WA Synthesis and evaluation of imidazole-dioxolane compounds as selective heme oxygenase inhibitors: effect of substituents at the 4-position of the dioxolane ring. Bioorg Med Chem 17:2461-75 (2009) [PubMed]  Article 
Target
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:
MERPQLDSMSQDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQLYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALLTEEHKDQSPSQTEFLRQRPASLVQDTTSAETPRGKSQISTSSSQTPLLRWVLTLSFLLATVAVGIYAM
  
Inhibitor
Name:
BDBM31682
Synonyms:
imidazole-dioxolane, 32
Type:
Small organic molecule
Emp. Form.:
C16H18ClFN2O2
Mol. Mass.:
324.778
SMILES:
FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
methemalbumin
Synonyms:
ALB | ALBU_HUMAN | heme complexed with albumin
Type:
albumin complex
Mol. Mass.:
66464.47
Organism:
Homo sapiens (Human)
Description:
Sequence of human serum albumin is shown here.
Residue:
585
Sequence:
DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL