Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM25870
Substrate
n/a
Meas. Tech.
ChEMBL_534654 (CHEMBL994103)
IC50
18800±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:
BDBM25870
Synonyms:
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | CHEMBL549 | CITALOPRAM | CITALOPRAM HYDROBROMIDE | Escitalopram | [3H]Citalopram | [3H]Cytalopram | [3H]Escitalopram | [3H]Lexapro
Type:
radiolabeled ligand
Emp. Form.:
C20H21FN2O
Mol. Mass.:
324.3919
SMILES:
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: