Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMonoamine transporters; Norepinephrine & serotonin
LigandBDBM50252279
Substrate/Competitorn/a
Meas. Tech.ChEMBL_487557
Ki 13.6±n/a nM
Citation Zhou, DZhou, PEvrard, DAMeagher, KWebb, MHarrison, BLHuryn, DMGolembieski, JHornby, GASchechter, LESmith, DLAndree, THMewshaw, RE Studies toward the discovery of the next generation of antidepressants. Part 6: Dual 5-HT1A receptor and serotonin transporter affinity within a class of arylpiperazinyl-cyclohexyl indole derivatives. Bioorg Med Chem16:6707-23 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Monoamine transporters; Norepinephrine & serotonin
Name:Monoamine transporters; Norepinephrine & serotonin
Synonyms:5-HT Transporter | 5-HTT | 5HT transporter | 5HTT | Anandamid membrane transporter, AMT | Anandamide membrane transporter, AMT | 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:
METTPLNSQKVLSECKDREDCQENGVLQKGVPTTADRAEPSQISNGYSAVPSTSAGDEAS
HSIPAATTTLVAEIRQGERETWGKKMDFLLSVIGYAVDLGNIWRFPYICYQNGGGAFLLP
YTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTII
AWALYYLISSLTDRLPWTSCTNSWNTGNCTNYFAQDNITWTLHSTSPAEEFYLRHVLQIH
QSKGLQDLGTISWQLTLCIVLIFTVIYFSIWKGVKTSGKVVWVTATFPYIVLSVLLVRGA
TLPGAWRGVVFYLKPNWQKLLETGVWVDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQD
ALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPAS
TFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHIWAKRREWFVLIVVITCVLGSLLT
LTSGGAYVVTLLEEYATGPAVLTVALIEAVAVSWFYGITQFCSDVKEMLGFSPGWFWRIC
WVAISPLFLLFIICSFLMSPPQLRLFQYNYPHWSIVLGYCIGMSSVICIPTYIIYRLIST
PGTLKERIIKSITPETPTEIPCGDIRMNAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50252279
NameBDBM50252279
Synonyms:3-[(1,4-trans)-4-(4-Quinoxalin-5-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile | CHEMBL518946
TypeSmall organic molecule
Emp. Form.C27H28N6
Mol. Mass.436.5514
SMILESN#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,wD:12.15,(12.55,-43.28,;12.96,-44.78,;13.27,-46.29,;14.73,-46.78,;15.03,-48.29,;13.88,-49.31,;13.86,-50.84,;12.39,-51.3,;11.5,-50.05,;9.96,-50.04,;9.18,-51.36,;7.64,-51.35,;6.89,-50,;7.66,-48.68,;9.2,-48.69,;5.35,-49.99,;4.57,-51.32,;3.03,-51.31,;2.27,-49.98,;3.05,-48.65,;4.59,-48.65,;.73,-49.97,;-.04,-51.3,;-1.57,-51.3,;-2.34,-49.96,;-1.56,-48.63,;-2.32,-47.3,;-1.55,-45.98,;-.01,-45.98,;.75,-47.32,;-.03,-48.64,;12.42,-48.81,;12.12,-47.31,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a