Reaction Details |
| Report a problem with these data |
Target | ATP-dependent translocase ABCB1 |
---|
Ligand | BDBM50221871 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_446267 (CHEMBL895371) |
---|
Ki | 1830±n/a nM |
---|
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 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
ATP-dependent translocase ABCB1 |
---|
Name: | ATP-dependent translocase ABCB1 |
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 |
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
|
|
|
BDBM50221871 |
---|
n/a |
---|
Name | BDBM50221871 |
Synonyms: | CHEMBL437009 | benzoic acid (1S,2R,5S,6S,7S,8R,9R,12R)-5,12-diacetoxy-6-acetoxymethyl-2-hydroxy-2,10,10-trimethyl-8-pentyloxy-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester |
Type | Small organic molecule |
Emp. Form. | C33H46O11 |
Mol. Mass. | 618.7117 |
SMILES | CCCCCO[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@](C)(O)CC[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H]1OC(=O)c1ccccc1 |
Structure |
|