Reaction Details Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50302924
Substrate
n/a
Meas. Tech.
ChEMBL_595699 (CHEMBL1041762)
IC50
1580±n/a nM
Citation
 Carroll, FI; Blough, BE; Abraham, P; Mills, AC; Holleman, JA; Wolckenhauer, SA; Decker, AM; Landavazo, A; McElroy, KT; Navarro, HA; Gatch, MB; Forster, MJ Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction. J Med Chem 52:6768-81 (2009) [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:
BDBM50302924
Synonyms:
2-(tert-Butylamino)-3',4'-dichloropentanophenone | 2-(tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one | CHEMBL566050
Type:
Small organic molecule
Emp. Form.:
C15H21Cl2NO
Mol. Mass.:
302.239
SMILES:
CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: