Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 2
Ligand
BDBM50017681
Substrate
n/a
Meas. Tech.
ChEMBL_838297 (CHEMBL2076245)
IC50
14600±n/a nM
Citation
 Arndt, P; Volk, C; Gorboulev, V; Budiman, T; Popp, C; Ulzheimer-Teuber, I; Akhoundova, A; Koppatz, S; Bamberg, E; Nagel, G; Koepsell, H Interaction of cations, anions, and weak base quinine with rat renal cation transporter rOCT2 compared with rOCT1. Am J Physiol Renal Physiol 281:454-68 (2001) [PubMed]  Article 
Target
Name:
Solute carrier family 22 member 2
Synonyms:
Adrenaline alpha2 | Oct2 | Organic cation transporter 2 | S22A2_RAT | Slc22a2 | Solute carrier family 22 member 2 | rOCT2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
62348.38
Organism:
RAT
Description:
Adrenaline alpha2 0 RAT::Q9R0W2
Residue:
555
Sequence:
MSTVDDILEHIGEFHLFQKQTFFLLALLSGAFTPIYVGIVFLGFTPDHHCWSPGAAKLSQRCGWSQAEELNYTVPGLGPSDEASFLSQCMRYEVDWNQSTLDCVDPLSSLAADRNQLPLGPCEHGWVYNTPGSSIVTEFNLVCAHSWMLDLFQSVVNVGFFIGAMMIGYLADRFGRKFCLLVTILINAISGALMAISPNYAWMLVFRFLQGLVSKAGWLIGYILITEFVGLGYRRMVGICYQIAFTVGLLILAGVAYVIPNWRWLQFAVTLPNFCFLLYFWCIPESPRWLISQNKIVKAMKIIKHIAKKNGKSVPVSLQNLTPDEDAGKKLNPSFLDLVRTPQIRKHTLILMYNWFTSSVLYQGLIMHMGLAGDNIYLDFFYSALVEFPAAFIIILTIDRVGRRYPWAVSNMVAGAACLASVFIPDDLQWLKITIACLGRMGITMAYEMVCLVNAELYPTYIRNLGVLVCSSMCDIGGIITPFLVYRLTDIWMEFPLVVFAVVGLVAGALVLLLPETKGKALPETIEDAENMQRPRKKKEKRIYLQVKQADRPLS
  
Inhibitor
Name:
BDBM50017681
Synonyms:
(1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4-yl)-methyl]-5-vinyl-1-azonia-bicyclo[2.2.2]octane | (6-Methoxy-quinolin-4-yl)-((2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; compound with sulfuric acid | (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; sulphate | (S)-(6-Methoxy-quinolin-4-yl)-((2R,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (S)-(6-Methoxy-quinolin-4-yl)-((2R,4S,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (S)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (S)-(6-methoxy-quinolin-4-yl)-((2R,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | (S)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol | (S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol | (S)-(6-methoxyquinolin-4-yl)((3S,4R,7R)-3-vinylquinuclidin-7-yl)methanol | (S)-(6-methoxyquinolin-4-yl)[(2R,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol | (quinidine)(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | 6-methoxy-4-quinolyl-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl-S-methanol | 8R,9S(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | CHEMBL97 | CIN-QUIN | Cardioquin | Duraquin | QUINIDINE | Quinact | Quinaglute | Quinalan | Quinatime | Quinidex | Quinine | Quinora | TCMDC-131239
Type:
Small organic molecule
Emp. Form.:
C20H24N2O2
Mol. Mass.:
324.4168
SMILES:
COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15|
Structure:
Search PDB for entries with ligand similarity: