Reaction Details  Report a problem with these data
Target
Sodium-dependent serotonin transporter
Ligand
BDBM50352666
Substrate
n/a
Meas. Tech.
ChEMBL_766795 (CHEMBL1827735)
IC50
6.9±n/a nM
Citation
 Seo, HJ; Park, EJ; Kim, MJ; Kang, SY; Lee, SH; Kim, HJ; Lee, KN; Jung, ME; Lee, M; Kim, MS; Son, EJ; Park, WK; Kim, J; Lee, J Design and synthesis of novel arylpiperazine derivatives containing the imidazole core targeting 5-HT(2A) receptor and 5-HT transporter. J Med Chem 54:6305-18 (2011) [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:
BDBM50352666
Synonyms:
CHEMBL1823080
Type:
Small organic molecule
Emp. Form.:
C27H34FN5O
Mol. Mass.:
463.5902
SMILES:
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F |(-6.05,-10.44,;-5.27,-9.11,;-3.73,-9.11,;-3.25,-7.64,;-1.92,-6.87,;-1.92,-5.33,;-.59,-7.64,;.75,-6.87,;2.08,-7.64,;3.41,-6.87,;4.74,-7.64,;6.07,-6.86,;7.4,-7.62,;7.41,-9.17,;6.07,-9.94,;4.73,-9.17,;8.74,-9.93,;10.07,-9.15,;11.41,-9.91,;11.41,-11.46,;10.07,-12.23,;10.07,-13.77,;8.74,-11.46,;7.41,-12.23,;-4.5,-6.74,;-4.51,-5.2,;-5.75,-7.64,;-7.08,-6.87,;-7.07,-5.33,;-8.41,-4.56,;-9.75,-5.33,;-9.74,-6.88,;-8.41,-7.64,;-8.41,-9.18,)|
Structure:
Search PDB for entries with ligand similarity: