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Target
ATP-dependent translocase ABCB1 bd-verapamil
Ligand
BDBM81939
Substrate
n/a
Meas. Tech.
Fluorescence Correlation Spectroscopy (FCS)
Temperature
295.65±0.5 K
IC50
1.73e+5± 6.9e+4 nM
Citation
 Li, MJ; Nath, A; Atkins, WM Differential Coupling of Binding, ATP Hydrolysis, and Transport of Fluorescent Probes with P-Glycoprotein in Lipid Nanodiscs. Biochemistry 56:2506-2517 (2017) [PubMed]  Article 
Target
Name:
ATP-dependent translocase ABCB1 bd-verapamil
Synonyms:
p-gp nanodisc bd-verapamil | p-gp nanodisc bd-vinblastine
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
ATP-dependent translocase ABCB1
Synonyms:
Abcb1a | Abcb4 | MDR1A_MOUSE | Mdr1a | Mdr3 | P-glycoprotein (P-gp) | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | P-glycoprotein 3 | Pgy-3 | Pgy3
Type:
Protein
Mol. Mass.:
140669.02
Organism:
Mus musculus (Mouse)
Description:
P21447
Residue:
1276
Sequence:
MELEEDLKGRADKNFSKMGKKSKKEKKEKKPAVSVLTMFRYAGWLDRLYMLVGTLAAIIHGVALPLMMLIFGDMTDSFASVGNVSKNSTNMSEADKRAMFAKLEEEMTTYAYYYTGIGAGVLIVAYIQVSFWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQAMATFFGGFIIGFTRGWKLTLVILAISPVLGLSAGIWAKILSSFTDKELHAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNNNLEEAKRLGIKKAITANISMGAAFLLIYASYALAFWYGTSLVISKEYSIGQVLTVFFSVLIGAFSVGQASPNIEAFANARGAAYEVFKIIDNKPSIDSFSKSGHKPDNIQGNLEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGCGKSTTVQLMQRLYDPLDGMVSIDGQDIRTINVRYLREIIGVVSQEPVLFATTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQTAGNEIELGNEACKSKDEIDNLDMSSKDSGSSLIRRRSTRKSICGPHDQDRKLSTKEALDEDVPPASFWRILKLNSTEWPYFVVGIFCAIINGGLQPAFSVIFSKVVGVFTNGGPPETQRQNSNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISLIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAYLVTQQLMTFENVLLVFSAIVFGAMAVGQVSSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTRPSIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPMAGSVFLDGKEIKQLNVQWLRAQLGIVSQEPILFDCSIAENIAYGDNSRVVSYEEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMVSVQAGAKRS
  
Component 2
Name:
BDBM227641
Synonyms:
BD-verapamil | BODIPY-verapamil
Type:
Small organic molecule
Emp. Form.:
C41H55BF2N4O5
Mol. Mass.:
732.707
SMILES:
COc1ccc(CCN(C)CCCC(CNC(=O)CCC2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |c:23,25,t:20|
Structure:
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Inhibitor
Name:
BDBM81939
Synonyms:
CAS_52-53-9 | NSC_62969 | VERAPAMIL
Type:
Small organic molecule
Emp. Form.:
C27H38N2O4
Mol. Mass.:
454.6016
SMILES:
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Structure:
Search PDB for entries with ligand similarity: