Ki Summary

Reaction Details

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Target

Sodium-dependent serotonin transporter

Ligand

BDBM50021113

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1365898 (CHEMBL3296556)

37±n/a nM

Citation

Kumar, V; Rahbek-Clemmensen, T; Billesb�lle, CB; Jorgensen, TN; Gether, U; Newman, AH Novel and high affinity fluorescent ligands for the serotonin transporter based on (s)-citalopram. ACS Med Chem Lett5:696-9 (2014) [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.:

70322.51

Organism:

Homo sapiens (Human)

Description:

P31645

Residue:

630

Sequence:

METTPLNSQKQLSACEDGEDCQENGVLQKVVPTPGDKVESGQISNGYSAVPSPGAGDDTR
HSIPATTTTLVAELHQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICYQNGGGAFLLP
YTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIM
AWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIH
RSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIILSVLLVRGA
TLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQD
ALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPAS
TFFAIIFFLMLITLGLDSTFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVT
LTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRIC
WVAISPLFLLFIICSFLMSPPQLRLFQYNYPYWSIILGYCIGTSSFICIPTYIAYRLIIT
PGTFKERIIKSITPETPTEIPCGDIRLNAV

BDBM50021113

n/a

Name

BDBM50021113

Synonyms:

CHEMBL3287655

Type

Small organic molecule

Emp. Form.

C55H68FN5O8S2

Mol. Mass.

1010.286

SMILES

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCCc3ccc4c(CO[C@@]4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:42.50,(.36,-18.23,;1.7,-19,;1.7,-20.54,;.36,-21.31,;-.97,-20.54,;3.03,-21.31,;3.03,-22.86,;4.36,-23.63,;5.7,-22.85,;7.03,-23.61,;7.03,-25.15,;5.7,-25.92,;5.7,-27.46,;7.04,-28.23,;8.37,-27.44,;8.36,-25.91,;9.69,-25.13,;11.03,-25.89,;8.91,-23.79,;10.46,-23.79,;7.04,-29.76,;6.26,-31.1,;5.5,-29.76,;8.38,-30.53,;9.71,-29.76,;11.05,-30.52,;12.38,-29.75,;13.72,-30.51,;15.05,-29.73,;16.38,-30.5,;16.39,-32.04,;17.71,-29.72,;19.05,-30.49,;20.38,-29.71,;21.72,-30.48,;23.04,-29.71,;23.07,-28.17,;24.43,-27.43,;25.75,-28.23,;25.71,-29.76,;27.15,-30.27,;28.08,-29.05,;27.2,-27.8,;28.32,-26.73,;29.8,-27.17,;30.92,-26.11,;32.39,-26.55,;33.51,-25.49,;32.76,-28.04,;26.84,-26.3,;27.97,-25.23,;27.61,-23.73,;26.12,-23.29,;25.76,-21.8,;25,-24.37,;25.37,-25.86,;24.35,-30.5,;8.36,-22.84,;9.71,-23.6,;11.04,-22.82,;11.03,-21.27,;9.69,-20.51,;8.36,-21.29,;7.02,-20.53,;5.69,-21.3,;4.36,-20.54,;12.35,-20.49,;12.34,-18.95,;13.67,-18.16,;13.7,-21.24,;15.02,-20.46,)|

Structure