Reaction Details Report a problem with these data
Target
Retinoid isomerohydrolase
Ligand
BDBM323490
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:
BDBM323490
Synonyms:
(1,2-Trans)-2-((3-((R)-3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Cyclohexyl Acetate | US10188615, Example 173 | US10639286, Example 173
Type:
Small organic molecule
Emp. Form.:
C18H27NO4
Mol. Mass.:
321.4113
SMILES:
CC(=O)O[C@@H]1CCCC[C@H]1COc1cccc(c1)[C@H](O)CCN |r|
Structure:
Search PDB for entries with ligand similarity: