| Reaction Details |
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 | Report a problem with these data |
| Target | ATP-dependent translocase ABCB1 |
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| Ligand | BDBM50221823 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_446267 (CHEMBL895371) |
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| Ki | 710±n/a nM |
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| Citation |  Reyes, CP; Muñoz-Martínez, F; Torrecillas, IR; Mendoza, CR; Gamarro, F; Bazzocchi, IL; Núñez, MJ; Pardo, L; Castanys, S; Campillo, M; Jiménez, IA Biological evaluation, structure-activity relationships, and three-dimensional quantitative structure-activity relationship studies of dihydro-beta-agarofuran sesquiterpenes as modulators of P-glycoprotein-dependent multidrug resistance. J Med Chem50:4808-17 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| ATP-dependent translocase ABCB1 |
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| Name: | ATP-dependent translocase ABCB1 |
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| Synonyms: | ABCB1 | MDR1 | MDR1_HUMAN | Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | Multidrug resistance protein 1/Multidrug resistance associated protein 1 | P-glycoprotein (P-gp) | P-glycoprotein 1 | PGY1 |
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| Type: | Protein |
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| Mol. Mass.: | 141503.50 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P08183 |
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| Residue: | 1280 |
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| Sequence: | MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAII
HGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSG
IGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVS
KINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFT
DKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIG
AAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARG
AAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSG
QTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLF
ATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIA
IARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAG
FDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRS
SLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAII
NGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKA
GEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNI
ANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEA
IENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFG
AYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDS
YSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVV
QLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVV
SQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLD
EATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQL
LAQKGIYFSMVSVQAGTKRQ
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| BDBM50221823 |
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| n/a |
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| Name | BDBM50221823 |
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| Synonyms: | CHEMBL234334 | nicotinic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-6-acetoxymethyl-7,12-bis-benzoyloxy-2,10,10-trimethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-4-yl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C39H41NO11 |
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| Mol. Mass. | 699.7429 |
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| SMILES | C[C@@H]1C[C@H](OC(=O)c2cccnc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]12OC3(C)C)OC(=O)c1ccccc1 |THB:28:27:18.25.24:38.39| |
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| Structure | 
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