Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
ChEMBL_1659985 (CHEMBL4009597)
IC50
2600±n/a nM
Citation
 Chen, EC; Khuri, N; Liang, X; Stecula, A; Chien, HC; Yee, SW; Huang, Y; Sali, A; Giacomini, KM Discovery of Competitive and Noncompetitive Ligands of the Organic Cation Transporter 1 (OCT1; SLC22A1). J Med Chem 60:2685-2696 (2017) [PubMed]  Article 
Target
Name:
Solute carrier family 22 member 1
Synonyms:
Solute carrier family 22 member 1 | Organic cation transporter 1 | hOCT1 | S22A1_HUMAN | SLC22A1 | OCT1 | Adrenergic Alpha
Type:
Enzyme Catalytic Domain
Mol. Mass.:
61154.85
Organism:
Human
Description:
Adrenergic Alpha 0 HUMAN::O15245
Residue:
554
Sequence:
MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHCQSPGVAELSQRCGWSPAEELNYTVPGLGPAGEAFLGQCRRYEVDWNQSALSCVDPLASLATNRSHLPLGPCQDGWVYDTPGSSIVTEFNLVCADSWKLDLFQSCLNAGFLFGSLGVGYFADRFGRKLCLLGTVLVNAVSGVLMAFSPNYMSMLLFRLLQGLVSKGNWMAGYTLITEFVGSGSRRTVAIMYQMAFTVGLVALTGLAYALPHWRWLQLAVSLPTFLFLLYYWCVPESPRWLLSQKRNTEAIKIMDHIAQKNGKLPPADLKMLSLEEDVTEKLSPSFADLFRTPRLRKRTFILMYLWFTDSVLYQGLILHMGATSGNLYLDFLYSALVEIPGAFIALITIDRVGRIYPMAMSNLLAGAACLVMIFISPDLHWLNIIIMCVGRMGITIAIQMICLVNAELYPTFVRNLGVMVCSSLCDIGGIITPFIVFRLREVWQALPLILFAVLGLLAAGVTLLLPETKGVALPETMKDAENLGRKAKPKENTIYLKVQTSEPSGT
  
Inhibitor
Name:
BDBM151585
Synonyms:
US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole | US11739089, Compound Ketoconazole
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
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