Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM50240514
Substrate
n/a
Meas. Tech.
ChEMBL_534654 (CHEMBL994103)
IC50
77800±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:
BDBM50240514
Synonyms:
(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine | (Z)-2-Chloro-9-(omega-dimethylaminopropylidene)thioxanthene | (Z)-chlorprothixene | CHEMBL908 | CHLORPROTHIXENE | cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
Type:
Small organic molecule
Emp. Form.:
C18H18ClNS
Mol. Mass.:
315.86
SMILES:
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Structure:
Search PDB for entries with ligand similarity: