Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM50253157
Substrate
n/a
Meas. Tech.
ChEMBL_534654 (CHEMBL994103)
IC50
4900±n/a nM
Citation
 Ahlin, G; Karlsson, J; Pedersen, JM; Gustavsson, L; Larsson, R; Matsson, P; Norinder, U; Bergström, CA; Artursson, P Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1. J Med Chem 51:5932-42 (2008) [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:
BDBM50253157
Synonyms:
(+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine | (+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine | (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine | CHEMBL1626 | CLEMASTINE
Type:
Small organic molecule
Emp. Form.:
C21H26ClNO
Mol. Mass.:
343.89
SMILES:
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: