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Target
Aldehyde oxidase 1
Ligand
BDBM19441
Substrate
n/a
Meas. Tech.
ChEMBL_696366 (CHEMBL1640079)
IC50
1100±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:
BDBM19441
Synonyms:
2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol | CHEMBL81 | Evista | Keoxifene | RALOXIFENE HYDROCHLORIDE | Raloxifene | Raloxifene (7) | Raloxifene, 6 | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone | cid_11071264
Type:
Small organic molecule
Emp. Form.:
C28H27NO4S
Mol. Mass.:
473.583
SMILES:
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: