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Target
Aldehyde oxidase 1
Ligand
BDBM50130273
Substrate
n/a
Meas. Tech.
ChEMBL_696369 (CHEMBL1640082)
IC50
3600±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:
AOX1 | AOXA_MACFA | Aldehyde oxidase
Type:
PROTEIN
Mol. Mass.:
147702.30
Organism:
Macaca fascicularis
Description:
ChEMBL_696369
Residue:
1338
Sequence:
MDRASELLFYVNGRKVIEKNVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACTVMISRYNPITNRIRHHPANACLIPICSLYGTAVTTVEGIGSTHTRIHPVQERIAKCHGTQCGFCTPGMVMSIYTLLRNHPEPTLDQLTDALGGNLCRCTGYRPIIDACKTFCETSGCCQSKENGVCCLDQRINGLPEFEEGSKTSPKLFAEEEFLPLDPTQELIFPPELMIMAEKQPQRTRVFGSERMMWFSPVTLKELLEFKFKYPQAPVIMGNTSVGPQMKFKGVFHPVIISPDRIEELSVVNHTHNGLTLGAGLSLAQVKDILADVVQKLPGEKTQTYHALLKHLGTLAGSQIRNMASLGGHIISRHPDSDLNPILAVGNCTLNLLSKEGKRQIPLNEQFLSKCPNADLKPQEILVSVNIPYSRKLEFVSAFRQAQRQENALAIVNSGMRVFFGEGHGIIRELSISYGGVGPATICAKNSCQKLIGRHWNEEMLDTACRLVLEEVSLSGSAPGGRVEFKRTLIISFLFKFYLEVSQILKKMDPIRYPSLADKHESALEDLHSKHHCSTLKYQHMGPKQHPEDPIGHPIMHLSGVKHATGEAIYCDDMPLVDQELFLTFVTSSRAHAKIVSIDLSEALSMPGVVDVITAEHLSDVNSFCFFTEAEEFLATDKVFCVGQLVCAVLADSEVQAKRAAKQVKIVYQDLEPLILTIKEAIQHNSFFEPERKLEYGNVDEAFKVVDQILEGEIHMGGQEHFYMETQSMLVVPKGEDQEMDVYVSTQFPKYIQDIVASTLKLPANKVMCHVKRVGGAFGGKAFKTGVIAAVTAFAANKHGRAVRCVLERGEDMLITGGRHPYLGKYKAGFMNDGRILALDMEHYSNAGNSLDESLLVIEMGLLKMDNAYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAGLITESCIMEVAAKCGLSPEKVRMINMYKEIDQTPYKQEINAKNLIQCWRECMAVSSYSLRKAAVEKFNAENYWKKKGLAMVPLKYPVGLGSRAAGQAAALVHIYLDGSVLVTHGGIEMGQGVHTKMIQVVSRELGMPISNVHLRGTSTETVPNANVSGGSVVADLNGLAVKDACQTLLKRLEPIISKNPKGTWKDWAQTAFDESISLSAVGYFRGYESDINWEKGEGHPFEYFVYGAACSEVEIDCLTGDHKNIRTDIVMDVGCSINPAIDIGQIEGAFIQGMGLYTIEELNYSPQGVLHTRGPDQYKIPAICDTPTEFHISLLPPSENSNTLYSSKGLGESGVFLGCSVFFAIHDAVSAARRERGLHGPLSLNSPLTPEKIRMACEDKFTKMIPRDEPGSCVPWNVPI
  
Inhibitor
Name:
BDBM50130273
Synonyms:
2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol | 2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine | 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol | 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol | 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol | CHEMBL567 | Chlorpiprazine | PERPHENAZINE | Perfenazine | Perphenazin | Trilafon | gamma-(4-(beta-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine
Type:
Small organic molecule
Emp. Form.:
C21H26ClN3OS
Mol. Mass.:
403.969
SMILES:
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Structure:
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