Ki Summary

Reaction Details

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Target

Sodium-dependent serotonin transporter

Ligand

BDBM50597616

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2223723 (CHEMBL5137236)

785±n/a nM

Citation

Camacho-Hernandez, GA; Casiraghi, A; Rudin, D; Luethi, D; Ku, TC; Guthrie, DA; Straniero, V; Valoti, E; Sch�tz, GJ; Sitte, HH; Newman, AH Illuminating the norepinephrine transporter: fluorescent probes based on nisoxetine and talopram. RSC Med Chem12:1174-1186 (2021) [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

BDBM50597616

n/a

Name

BDBM50597616

Synonyms:

CHEMBL5188712

Type

Small organic molecule

Emp. Form.

C51H63N5O9S2

Mol. Mass.

954.204

SMILES

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)|

Structure