Ki Summary

Reaction Details

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Target

Sodium-dependent serotonin transporter

Ligand

BDBM50098549

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_461141 (CHEMBL944164)

21±n/a nM

Citation

Zhang, A; Zhang, Y; Branfman, AR; Baldessarini, RJ; Neumeyer, JL Advances in development of dopaminergic aporphinoids. J Med Chem50:171-81 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Sodium-dependent serotonin transporter

Name:

Sodium-dependent serotonin transporter

Synonyms:

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

BDBM50098549

n/a

Name

BDBM50098549

Synonyms:

(6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile | (6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile | 3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile | CHEMBL28056

Type

Small organic molecule

Emp. Form.

C25H22N2

Mol. Mass.

350.4556

SMILES

CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|

Structure