Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50249817

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_498553 (CHEMBL974426)

IC50

>120000±n/a nM

Citation

Gannon, MK; Holt, JJ; Bennett, SM; Wetzel, BR; Loo, TW; Bartlett, MC; Clarke, DM; Sawada, GA; Higgins, JW; Tombline, G; Raub, TJ; Detty, MR Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity. J Med Chem52:3328-41 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

ATP-dependent translocase ABCB1

Name:

ATP-dependent translocase ABCB1

Synonyms:

Type:

Protein

Mol. Mass.:

140669.02

Organism:

Mus musculus (Mouse)

Description:

P21447

Residue:

1276

Sequence:

MELEEDLKGRADKNFSKMGKKSKKEKKEKKPAVSVLTMFRYAGWLDRLYMLVGTLAAIIH
GVALPLMMLIFGDMTDSFASVGNVSKNSTNMSEADKRAMFAKLEEEMTTYAYYYTGIGAG
VLIVAYIQVSFWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSKINE
GIGDKIGMFFQAMATFFGGFIIGFTRGWKLTLVILAISPVLGLSAGIWAKILSSFTDKEL
HAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNNNLEEAKRLGIKKAITANISMGAAFL
LIYASYALAFWYGTSLVISKEYSIGQVLTVFFSVLIGAFSVGQASPNIEAFANARGAAYE
VFKIIDNKPSIDSFSKSGHKPDNIQGNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVA
LVGNSGCGKSTTVQLMQRLYDPLDGMVSIDGQDIRTINVRYLREIIGVVSQEPVLFATTI
AENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARA
LVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGFDGG
VIVEQGNHDELMREKGIYFKLVMTQTAGNEIELGNEACKSKDEIDNLDMSSKDSGSSLIR
RRSTRKSICGPHDQDRKLSTKEALDEDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGL
QPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEIL
TKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLG
TGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENF
RTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLV
TQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQ
GLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLE
RFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEE
IVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATS
ALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQK
GIYFSMVSVQAGAKRS

BDBM50249817

n/a

Name

BDBM50249817

Synonyms:

CHEMBL491928 | N-(9-(5-carboxythiophen-2-yl)-6-(dimethylamino)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate

Type

Small organic molecule

Emp. Form.

C22H21N2O2SSe

Mol. Mass.

456.44

SMILES

CN(C)c1ccc2c(-c3ccc(s3)C(O)=O)c3ccc(cc3[se]c2c1)=[N+](C)C |(-10.27,-11.01,;-8.94,-11.78,;-8.94,-13.31,;-7.61,-11.01,;-7.6,-9.47,;-6.28,-8.7,;-4.94,-9.46,;-3.61,-8.67,;-3.62,-7.14,;-4.87,-6.24,;-4.4,-4.77,;-2.86,-4.77,;-2.38,-6.23,;-1.97,-3.52,;-.45,-3.67,;-2.61,-2.11,;-2.26,-9.45,;-.92,-8.66,;.43,-9.43,;.44,-10.99,;-.91,-11.78,;-2.26,-11.01,;-3.6,-11.78,;-4.94,-11.01,;-6.27,-11.78,;1.78,-11.75,;1.79,-13.29,;3.1,-10.98,)|

Structure