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Target
Sodium-dependent serotonin transporter
Ligand
BDBM50428499
Substrate
n/a
Meas. Tech.
ChEMBL_943963 (CHEMBL2340407)
Ki
392±n/a nM
Citation
 Zhang, P; Jørgensen, TN; Loland, CJ; Newman, AH A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. Bioorg Med Chem Lett 23:323-6 (2012) [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:
BDBM50428499
Synonyms:
CHEMBL2336611
Type:
Small organic molecule
Emp. Form.:
C50H61Cl2N5O9S2
Mol. Mass.:
1011.083
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3[C@@H]4CC[C@@H]3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:35.35,38.39,39.53,40.44,TLB:50:39:34:36.37,THB:33:34:40.41.39:36.37,42:40:34:36.37,(30.38,-12.98,;30.41,-14.51,;29.1,-15.31,;29.13,-16.85,;27.81,-17.65,;27.75,-14.57,;26.42,-15.37,;25.06,-14.63,;25.03,-13.08,;23.7,-12.33,;22.38,-13.12,;22.4,-14.66,;21.07,-15.45,;19.74,-14.7,;19.71,-13.15,;21.03,-12.36,;21.01,-10.82,;19.66,-10.08,;21.4,-9.33,;22.52,-11.21,;18.41,-15.49,;19.19,-16.82,;17.65,-16.84,;17.07,-14.74,;15.75,-15.53,;14.4,-14.78,;13.08,-15.57,;11.73,-14.82,;10.41,-15.61,;9.07,-14.86,;9.04,-13.32,;7.75,-15.64,;7.73,-17.17,;6.42,-17.97,;6.46,-19.51,;6.72,-21.05,;5.73,-22.4,;6.91,-21.68,;7.52,-20.34,;9.27,-20.31,;9.54,-21.86,;8.56,-21.05,;10.31,-23.19,;11.84,-23.18,;12.62,-24.5,;11.85,-25.85,;12.62,-27.18,;10.31,-25.85,;9.54,-27.19,;9.54,-24.52,;10.09,-19.01,;9.38,-17.65,;11.63,-19.07,;12.35,-20.44,;23.67,-10.79,;22.33,-10.05,;22.29,-8.52,;23.61,-7.72,;24.96,-8.46,;24.98,-10,;26.33,-10.74,;26.36,-12.28,;27.71,-13.02,;23.58,-6.18,;22.23,-5.44,;20.91,-6.24,;24.89,-5.38,;26.23,-6.13,)|
Structure:
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