Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 1
Ligand
BDBM50053590
Substrate
n/a
Meas. Tech.
ChEBML_1695435
IC50
10000±n/a nM
Citation
 Pan, X; Iyer, KA; Liu, H; Sweet, DH; Dukat, M A new chemotype inhibitor for the human organic cation transporter 3 (hOCT3). Bioorg Med Chem Lett 27:4440-4445 (2017) [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:
BDBM50053590
Synonyms:
1N-amino(immino)methyl-4-chloroaniline | CHEMBL41040 | N-(4-Chloro-phenyl)-guanidine | N-(4-chlorophenyl)guanidine
Type:
Small organic molecule
Emp. Form.:
C7H8ClN3
Mol. Mass.:
169.612
SMILES:
[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: