Reaction Details  Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM50241341
Substrate
n/a
Meas. Tech.
ChEMBL_1823590 (CHEMBL4323354)
IC50
137970±n/a nM
Citation
 Meyer, MJ; Neumann, VE; Friesacher, HR; Zdrazil, B; Brockmöller, J; Tzvetkov, MV Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem 62:9890-9905 (2019) [PubMed]  Article
Target
Name:
Solute carrier family 22 member 1
Synonyms:
Adrenergic Alpha | OCT1 | Organic cation transporter 1 | S22A1_HUMAN | SLC22A1 | Solute carrier family 22 member 1 | hOCT1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
61154.85
Organism:
Homo sapiens (Human)
Description:
Adrenergic Alpha 0 HUMAN::O15245
Residue:
554
Sequence:
MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHCQSPGVAELSQRCGWSPAEELNYTVPGLGPAGEAFLGQCRRYEVDWNQSALSCVDPLASLATNRSHLPLGPCQDGWVYDTPGSSIVTEFNLVCADSWKLDLFQSCLNAGFLFGSLGVGYFADRFGRKLCLLGTVLVNAVSGVLMAFSPNYMSMLLFRLLQGLVSKGNWMAGYTLITEFVGSGSRRTVAIMYQMAFTVGLVALTGLAYALPHWRWLQLAVSLPTFLFLLYYWCVPESPRWLLSQKRNTEAIKIMDHIAQKNGKLPPADLKMLSLEEDVTEKLSPSFADLFRTPRLRKRTFILMYLWFTDSVLYQGLILHMGATSGNLYLDFLYSALVEIPGAFIALITIDRVGRIYPMAMSNLLAGAACLVMIFISPDLHWLNIIIMCVGRMGITIAIQMICLVNAELYPTFVRNLGVMVCSSLCDIGGIITPFIVFRLREVWQALPLILFAVLGLLAAGVTLLLPETKGVALPETMKDAENLGRKAKPKENTIYLKVQTSEPSGT
  
Inhibitor
Name:
BDBM50241341
Synonyms:
(-)-(5R)-4,5-Epoxy-3-hydroxy-9alpha-methylmorphinan-6-one | 3-hydroxy-17-methyl-4,5alpha-epoxymorphinan-6-one | 4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-one | 4,5alpha-Epoxy-3-hydroxy-17-methyl-6-morphinanone | 6-Deoxy-7,8-dihydro-6-oxomorphine | 7,8-Dihydromorphinone | CHEMBL398707 | Dihydromorfinon | Dihydromorphinone | Dimorphone | HYDROMORPHONE | Hydromorfona | Hydromorphone Hydrochloride | Idromorfone
Type:
Small organic molecule
Emp. Form.:
C17H19NO3
Mol. Mass.:
285.3377
SMILES:
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O |r|
Structure:
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