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TargetP-glycoprotein (P-gp)
LigandBDBM50140857
Substrate/Competitorn/a
Meas. Tech.ChEMBL_148009
IC50 608±n/a nM
Citation Wang, SWan, NCHarrison, JMiller, WChuckowree, ISohal, SHancox, TCBaker, SFolkes, AWilson, FThompson, DCocks, SFarmer, HBoyce, AFreathy, CBroadbridge, JScott, JDepledge, PFaint, RMistry, PCharlton, P Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance. J Med Chem47:1339-50 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
P-glycoprotein (P-gp)
Name:P-glycoprotein (P-gp)
Synonyms:P-glycoprotein 1 and 3 (MDR1a/MDR1b) | P-glycoprotein 3
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50140857
NameBDBM50140857
Synonyms:4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5-methyl-2-morpholin-4-ylmethyl-5H-pyrimido[5,4-b]indole-9-carboxylic acid amide | CHEMBL439727
TypeSmall organic molecule
Emp. Form.C29H33F2N7O2
Mol. Mass.549.6148
SMILESCn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Structure
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n/a