Ki Summary

Reaction Details

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Target

ATP-dependent translocase ABCB1

Ligand

BDBM50249857

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_498569 (CHEMBL1021068)

IC50

20000±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.:

141503.50

Organism:

Homo sapiens (Human)

Description:

P08183

Residue:

1280

Sequence:

MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAII
HGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSG
IGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVS
KINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFT
DKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIG
AAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARG
AAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSG
QTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLF
ATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIA
IARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAG
FDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRS
SLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAII
NGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKA
GEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNI
ANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEA
IENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFG
AYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDS
YSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVV
QLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVV
SQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLD
EATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQL
LAQKGIYFSMVSVQAGTKRQ

BDBM50249857

n/a

Name

BDBM50249857

Synonyms:

12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-morpholino-2-thienyl-5-thiocarboxamido)-1H,5H-thioxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate | CHEMBL508803

Type

Small organic molecule

Emp. Form.

C30H32N3OS3

Mol. Mass.

546.789

SMILES

C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCOCC3)c3cc4CCCN5CCCc(c45)c3sc2c1 |(1.06,-52.5,;1.05,-50.96,;2.38,-50.18,;-.29,-50.2,;-.3,-48.63,;-1.66,-47.86,;-3,-48.65,;-4.35,-47.87,;-4.36,-46.33,;-5.61,-45.43,;-5.14,-43.97,;-3.6,-43.96,;-3.11,-45.42,;-2.7,-42.71,;-3.34,-41.3,;-1.18,-42.86,;-.55,-44.25,;.96,-44.41,;1.86,-43.17,;1.23,-41.77,;-.3,-41.61,;-5.68,-48.66,;-7.02,-47.89,;-8.35,-48.67,;-9.68,-47.9,;-11.02,-48.67,;-11.02,-50.21,;-9.68,-50.98,;-9.69,-52.52,;-8.35,-53.29,;-7.02,-52.52,;-7.02,-50.98,;-8.35,-50.21,;-5.68,-50.21,;-4.34,-50.98,;-2.99,-50.21,;-1.64,-50.98,)|

Structure