Target
Aldehyde oxidase 1
Ligand
BDBM17292
Substrate
n/a
Meas. Tech.
ChEMBL_696366 (CHEMBL1640079)
Ki
3000±n/a nM
Citation
 Pryde, DCDalvie, DHu, QJones, PObach, RSTran, 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:
BDBM17292
Synonyms:
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17 beta-Estradiol | 17α-ethinylestradiol | 17beta-estradiol (E2) | CHEMBL135 | CS336 | ESTRADIOL | Estradiol-17 alpha | Ovocyclin | US9034854, E2 | US9040509, E2 | US9422324, E2 | US9561238, E2 | [2,4,6,7-3H]-17beta-estradiol | [2,4,6,7-3H]-E2 | [3H]-estradiol | [3H]]estradiol
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.382
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Structure:
Search PDB for entries with ligand similarity: