Ki Summary

Reaction Details

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Target

Sodium-dependent serotonin transporter

Ligand

BDBM50021126

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1365903 (CHEMBL3296598)

3.0±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

BDBM50021126

n/a

Name

BDBM50021126

Synonyms:

CHEMBL3287656

Type

Small organic molecule

Emp. Form.

C53H64FN5O8S2

Mol. Mass.

982.232

SMILES

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(CO[C@@]4(CCCN(C)C)c4ccc(F)cc4)c3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wD:40.48,(4.8,-39.83,;6.14,-40.6,;6.14,-42.14,;4.8,-42.91,;3.48,-42.14,;7.47,-42.91,;7.47,-44.45,;8.8,-45.22,;10.14,-44.44,;11.47,-45.21,;11.47,-46.75,;10.14,-47.52,;10.14,-49.06,;11.48,-49.82,;12.82,-49.04,;12.81,-47.51,;14.13,-46.73,;15.47,-47.49,;13.35,-45.39,;14.9,-45.38,;11.48,-51.36,;10.7,-52.69,;9.94,-51.35,;12.82,-52.13,;14.15,-51.35,;15.49,-52.12,;16.82,-51.34,;18.16,-52.11,;19.49,-51.33,;20.82,-52.1,;20.83,-53.64,;22.15,-51.32,;23.49,-52.09,;24.82,-51.31,;24.76,-49.77,;26.07,-48.95,;27.43,-49.68,;27.48,-51.21,;28.96,-51.63,;29.81,-50.36,;28.86,-49.16,;29.92,-48.03,;31.42,-48.38,;32.47,-47.26,;33.97,-47.61,;35.03,-46.49,;34.42,-49.08,;28.42,-47.68,;29.48,-46.56,;29.03,-45.08,;27.52,-44.72,;27.08,-43.25,;26.47,-45.86,;26.92,-47.33,;26.17,-52.02,;12.8,-44.44,;14.15,-45.2,;15.48,-44.42,;15.47,-42.87,;14.13,-42.11,;12.8,-42.89,;11.46,-42.13,;10.14,-42.9,;8.8,-42.14,;16.8,-42.08,;16.78,-40.54,;18.11,-39.76,;18.14,-42.84,;19.46,-42.06,)|

Structure