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Target
Sodium-dependent serotonin transporter
Ligand
BDBM50152954
Substrate
n/a
Meas. Tech.
ChEMBL_306337 (CHEMBL828157)
IC50
400±n/a nM
Citation
 Boy, KM; Dee, M; Yevich, J; Torrente, J; Gao, Q; Iben, L; Stark, A; Mattson, RJ Ligand conformation has a definitive effect on 5-HT1A and serotonin reuptake affinity. Bioorg Med Chem Lett 14:4467-70 (2004) [PubMed]  Article 
Target
Name:
Sodium-dependent serotonin transporter
Synonyms:
5-HT Transporter | 5HT transporter | 5HTT | HTT | SC6A4_HUMAN | SERT | SLC6A4 | Serotonin Transporter (SERT) | Serotonin transporter (5HTT) | Serotonin transporter protein (SERT) | Sodium-dependent serotonin transporter (SERT) | Solute carrier family 6 member 4
Type:
Multi-pass membrane protein
Mol. Mass.:
70322.51
Organism:
Homo sapiens (Human)
Description:
P31645
Residue:
630
Sequence:
METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTRHSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTEIPCGDIRLNAV
  
Inhibitor
Name:
BDBM50152954
Synonyms:
4-[4-(2-fluoro-5-methoxybenzyl)hexahydro-1-pyrazinyl]spiro[cyclohexane-1,6''-(6'',8''-dihydro[1,3]dioxolo[5,4-e]isobenzofuran)]-8''-one | CHEMBL185025
Type:
Small organic molecule
Emp. Form.:
C27H30FNO5
Mol. Mass.:
467.5292
SMILES:
COc1ccc(F)c(CC2CCN(CC2)[C@H]2CC[C@]3(CC2)OC(=O)c2c4OCOc4ccc32)c1 |wU:15.15,18.22,(9.16,.88,;7.67,.48,;7.46,-1.05,;8.7,-1.99,;8.49,-3.52,;7.06,-4.1,;6.85,-5.63,;5.85,-3.16,;4.43,-3.74,;3.2,-2.8,;1.78,-3.38,;.57,-2.43,;.77,-.91,;2.19,-.33,;3.41,-1.27,;-.44,.02,;-1.87,-.56,;-3.09,.37,;-2.89,1.9,;-1.47,2.49,;-.25,1.55,;-2.84,3.45,;-4.31,3.96,;-5.15,5.26,;-5.24,2.74,;-6.78,2.63,;-7.87,3.68,;-9.22,2.96,;-8.97,1.45,;-7.45,1.24,;-6.59,-.03,;-5.03,.09,;-4.35,1.46,;6.05,-1.64,)|
Structure:
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