Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM94503
Substrate
n/a
Meas. Tech.
ChEMBL_1823590 (CHEMBL4323354)
IC50
19360±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:
BDBM94503
Synonyms:
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)-4-piperidinyl]-N-phenylpropanamide | 2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide | MLS002320668 | N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenyl-propanamide;2-oxidanylpropane-1,2,3-tricarboxylic acid | SMR001338814 | SUFENTANIL | Sufentanil citrate | Sufentanyl | cid_65494 | citric acid;N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C22H30N2O2S
Mol. Mass.:
386.551
SMILES:
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
Structure:
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