Reaction Details Report a problem with these data
Target
Aldehyde oxidase 1
Ligand
BDBM82507
Substrate
n/a
Meas. Tech.
ChEMBL_696366 (CHEMBL1640079)
Ki
30±n/a nM
Citation
 Pryde, DC; Dalvie, D; Hu, Q; Jones, P; Obach, RS; Tran, TD Aldehyde oxidase: an enzyme of emerging importance in drug discovery. J Med Chem 53:8441-60 (2010) [PubMed]  Article 
Target
Name:
Aldehyde oxidase 1
Synonyms:
AOXA_RAT | Aldehyde oxidase | Ao | Aox1
Type:
PROTEIN
Mol. Mass.:
146930.28
Organism:
Rattus norvegicus
Description:
ChEMBL_696366
Residue:
1333
Sequence:
MDPPQLLFYVNGQKVVENNVDPEMMLLPYLRKNLRLTGTKYGCGGGGCGACTVMISRYNPSTKSIRHHPVNACLTPICSLYGTAVTTVEGIGNTRTRLHPVQERIAKCHSTQCGFCTPGMVMSMYALLRNHPEPSLDQLTDALGGNLCRCTGYRPIIDACKTFCRASGCCESKENGVCCLDQGINGSAEFQEGDETSPELFSEKEFQPLDPTQELIFPPELMRIAEKQPPKTRVFYSNRMTWISPVTLEELVEAKFKYPGAPIVMGYTSVGPEVKFKGVFHPIIISPDRIEELSIINQTGDGLTLGAGLSLDQVKDILTDVVQKLPEETTQTYRALLKHLRTLAGSQIRNMASLGGHIVSRHLDSDLNPLLAVGNCTLNLLSKDGKRQIPLSEQFLRKCPDSDLKPQEVLVSVNIPCSRKWEFVSAFRQAQRQQNALAIVNSGMRVLFREGGGVIKELSILYGGVGPTTIGAKNSCQKLIGRPWNEEMLDTACRLVLDEVTLAGSAPGGKVEFKRTLIISFLFKFYLEVLQGLKREDPGHYPSLTNNYESALEDLHSKHHWRTLTHQNVDSMQLPQDPIGRPIMHLSGIKHATGEAIYCDDMPAVDRELFLTFVTSSRAHAKIVSIDLSEALSLPGVVDIITADHLQDATTFGTETLLATDKVHCVGQLVCAVIADSETRAKQAAKHVKVVYRDLEPLILTIEEAIQHKSFFESERKLECGNVDEAFKIADQILEGEIHIGGQEHFYMETQSMLVVPKGEDGEIDIYVSTQFPKHIQDIVAATLKLSVNKVMCHVRRVGGAFGGKVGKTSIMAAITAFAASKHGRAVRCTLERGEDMLITGGRHPYLGKYKVGFMRDGRIVALDVEHYCNGGSSLDESLWVIEMGLLKMDNAYKFPNLRCRGWACRTNLPSHTALRGFGFPQAGLVTEACVTEVAIRCGLSPEQVRTINMYKQIDNTHYKQEFSAKTLFECWRECMAKCSYSERKTAVGKFNAENSWKKRGMAVIPLKFPVGVGSVAMGQAAALVHIYLDGSALVSHGGIEMGQGVHTKMIQVVSRELKMPMSSVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIISKNPQGTWKDWAQTAFDQSVSLSAVGYFRGYESNINWEKGEGHPFEYFVYGAACSEVEIDCLTGDHKNIRTDIVMDVGHSINPALDIGQVEGAFIQGMGLYTIEELSYSPQGILYSRGPNQYKIPAICDIPTEMHISFLPPSEHSNTLYSSKGLGESGVFLGCSVFFAIHDAVRAARQERGISGPWKLTSPLTPEKIRMACEDKFTKMIPRDEPGSYVPWNIPV
  
Inhibitor
Name:
BDBM82507
Synonyms:
(+/-)-Methadone | CAS_5967-73-7 | METHADONE | Methadone-HCL,(-) | NSC_22266
Type:
Small organic molecule
Emp. Form.:
C21H27NO
Mol. Mass.:
309.4452
SMILES:
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: