Reaction Details Report a problem with these data
Target
Retinoid isomerohydrolase
Ligand
BDBM323456
Substrate
n/a
Meas. Tech.
In Vitro Isomerase Inhibition Assay
IC50
55.0±n/a nM
Citation
 Scott, IL; Kuksa, VA; Orme, MW; Little, Jr., TL; Gall, A; Hong, F Alkoxy compounds for disease treatment US Patent  US10188615 Publication Date 1/29/2019 
Target
Name:
Retinoid isomerohydrolase
Synonyms:
Lutein isomerase | Meso-zeaxanthin isomerase | RPE65 | RPE65_HUMAN | Retinal pigment epithelium-specific 65 kDa protein | Retinoid isomerohydrolase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
60946.29
Organism:
Homo sapiens (Human)
Description:
Q16518
Residue:
533
Sequence:
MSIQVEHPAGGYKKLFETVEELSSPLTAHVTGRIPLWLTGSLLRCGPGLFEVGSEPFYHLFDGQALLHKFDFKEGHVTYHRRFIRTDAYVRAMTEKRIVITEFGTCAFPDPCKNIFSRFFSYFRGVEVTDNALVNVYPVGEDYYACTETNFITKINPETLETIKQVDLCNYVSVNGATAHPHIENDGTVYNIGNCFGKNFSIAYNIVKIPPLQADKEDPISKSEIVVQFPCSDRFKPSYVHSFGLTPNYIVFVETPVKINLFKFLSSWSLWGANYMDCFESNETMGVWLHIADKKRKKYLNNKYRTSPFNLFHHINTYEDNGFLIVDLCCWKGFEFVYNYLYLANLRENWEEVKKNARKAPQPEVRRYVLPLNIDKADTGKNLVTLPNTTATAILCSDETIWLEPEVLFSGPRQAFEFPQINYQKYCGKPYTYAYGLGLNHFVPDRLCKLNVKTKETWVWQEPDSYPSEPIFVSHPDALEEDDGVVLSVVVSPGAGQKPAYLLILNAKDLSEVARAEVEINIPVTFHGLFKKS
  
Inhibitor
Name:
BDBM323456
Synonyms:
(1R,2R)-2-(Aminomethyl)-1-(3-(Cyclohexylmethoxy)Phenyl)Butan-1-Ol | US10188615, Example 49 | US10639286, Example 49
Type:
Small organic molecule
Emp. Form.:
C18H29NO2
Mol. Mass.:
291.4284
SMILES:
CC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1 |r|
Structure:
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