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Target
Sodium-dependent serotonin transporter
Ligand
BDBM50084717
Substrate
n/a
Meas. Tech.
ChEMBL_202133 (CHEMBL808122)
Ki
112±n/a nM
Citation
 Carroll, FI; Kotian, P; Dehghani, A; Gray, JL; Kuzemko, MA; Parham, KA; Abraham, P; Lewin, AH; Boja, JW; Kuhar, MJ Cocaine and 3 beta-(4'-substituted phenyl)tropane-2 beta-carboxylic acid ester and amide analogues. New high-affinity and selective compounds for the dopamine transporter. J Med Chem 38:379-88 (1995) [PubMed]  Article 
Target
Name:
Sodium-dependent serotonin transporter
Synonyms:
5-HT Transporter | 5-HTT | 5HT transporter | 5HTT | Anandamid membrane transporter, AMT | Anandamide membrane transporter, AMT | Monoamine transporters; Norepinephrine & serotonin | SC6A4_RAT | Slc6a4 | Sodium-dependent serotonin transporter | Sodium-dependent serotonin transporter (SERT) | imipramine receptor
Type:
Multi-pass membrane protein
Mol. Mass.:
70168.43
Organism:
Rattus norvegicus (rat)
Description:
P31652
Residue:
630
Sequence:
METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEASHSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIIAWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIHQSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGATLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLTLTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLISTPGTLKERIIKSITPETPTEIPCGDIRMNAV
  
Inhibitor
Name:
BDBM50084717
Synonyms:
(+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (-)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | (1R,2R,3S,5S)-methyl 3-(benzyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (1S,2R,3S,5R)-methyl 3-(benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate | (2R,3S)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (2R,3S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (2R,3S,8S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,5R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (3S,8R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (R)-3-Benzoyloxy-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane | (R)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (S)-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | (cocaine)3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Benzoyloxy-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid ethyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine(-)) | 3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester(Cocaine) | 3-Naphthalen-2-yl-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester | 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one | 8-Methyl-8-aza-bicyclo[3.2.1]octane-2,3-dicarboxylic acid 2-methyl ester 3-phenyl ester(cocaine) | CHEMBL120901 | COCAINE | R-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | S-3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | methyl 8-methyl-3-phenylcarbonyloxy-(3S)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(3S,5R)-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl 8-methyl-3-phenylcarbonyloxy-(5R)-8-azabicyclo[3.2.1]octane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Structure:
Search PDB for entries with ligand similarity: