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Target
ATP-binding cassette sub-family C member 2
Ligand
BDBM50390982
Substrate
n/a
Meas. Tech.
ChEMBL_839289 (CHEMBL2077960)
Ki
1010±n/a nM
Citation
 Akhteruzzaman, S; Kato, Y; Hisaka, A; Sugiyama, Y Primary active transport of peptidic endothelin antagonists by rat hepatic canalicular membrane. J Pharmacol Exp Ther 288:575-81 (1999) [PubMed] 
Target
Name:
ATP-binding cassette sub-family C member 2
Synonyms:
ATP-binding cassette sub-family C member 2 | Abcc2 | Canalicular multidrug resistance protein | Canalicular multispecific organic anion transporter 1 | Cmoat | Cmrp | MRP2_RAT | Mrp2 | Multidrug resistance-associated protein 2
Type:
PROTEIN
Mol. Mass.:
173415.22
Organism:
Rattus norvegicus
Description:
ChEMBL_1455464
Residue:
1541
Sequence:
MDKFCNSTFWDLSLLESPEADLPLCFEQTVLVWIPLGFLWLLAPWQLYSVYRSRTKRSSITKFYLAKQVFVVFLLILAAIDLSLALTEDTGQATVPPVRYTNPILYLCTWLLVLAVQHSRQWCVRKNSWFLSLFWILSVLCGVFQFQTLIRALLKDSKSNMAYSYLFFVSYGFQIVLLILTAFSGPSDSTQTPSVTASFLSSITFSWYDRTVLKGYKHPLTLEDVWDIDEGFKTRSVTSKFEAAMTKDLQKARQAFQRRLQKSQRKPEATLHGLNKKQSQSQDVLVLEEAKKKSEKTTKDYPKSWLIKSLFKTFHVVILKSFILKLIHDLLVFLNPQLLKLLIGFVKSSNSYVWFGYICAILMFAVTLIQSFCLQSYFQHCFVLGMCVRTTVMSSIYKKALTLSNLARKQYTIGETVNLMSVDSQKLMDATNYMQLVWSSVIQITLSIFFLWRELGPSILAGVGVMVLLIPVNGVLATKIRNIQVQNMKNKDKRLKIMNEILSGIKILKYFAWEPSFQEQVQGIRKKELKNLLRFGQLQSLLIFILQITPILVSVVTFSVYVLVDSANVLNAEKAFTSITLFNILRFPLSMLPMVTSSILQASVSVDRLERYLGGDDLDTSAIRRVSNFDKAVKFSEASFTWDPDLEATIQDVNLDIKPGQLVAVVGTVGSGKSSLVSAMLGEMENVHGHITIQGSTAYVPQQSWIQNGTIKDNILFGSEYNEKKYQQVLKACALLPDLEILPGGDMAEIGEKGINLSGGQKQRVSLARAAYQDADIYILDDPLSAVDAHVGKHIFNKVVGPNGLLAGKTRIFVTHGIHFLPQVDEIVVLGKGTILEKGSYRDLLDKKGVFARNWKTFMKHSGPEGEATVNNDSEAEDDDDGLIPTMEEIPEDAASLAMRRENSLRRTLSRSSRSSSRRGKSLKNSLKIKNVNVLKEKEKEVEGQKLIKKEFVETGKVKFSIYLKYLQAVGWWSILFIILFYGLNNVAFIGSNLWLSAWTSDSDNLNGTNNSSSHRDMRIGVFGALGLAQGICLLISTLWSIYACRNASKALHGQLLTNILRAPMRFFDTTPTGRIVNRFSGDISTVDDLLPQTLRSWMMCFFGIAGTLVMICMATPVFAIIIIPLSILYISVQVFYVATSRQLRRLDSVTKSPIYSHFSETVTGLPIIRAFEHQQRFLAWNEKQIDINQKCVFSWITSNRWLAIRLELVGNLVVFCSALLLVIYRKTLTGDVVGFVLSNALNITQTLNWLVRMTSEAETNIVAVERISEYINVENEAPWVTDKRPPADWPRHGEIQFNNYQVRYRPELDLVLKGITCNIKSGEKVGVVGRTGAGKSSLTNCLFRILESAGGQIIIDGIDVASIGLHDLRERLTIIPQDPILFSGSLRMNLDPFNKYSDEEVWRALELAHLRSFVSGLQLGLLSEVTEGGDNLSIGQRQLLCLGRAVLRKSKILVLDEATAAVDLETDSLIQTTIRKEFSQCTVITIAHRLHTIMDSDKIMVLDNGKIVEYGSPEELLSNRGSFYLMAKEAGIENVNHTEL
  
Inhibitor
Name:
BDBM50390982
Synonyms:
CHEMBL2075008
Type:
Small organic molecule
Emp. Form.:
C37H54N10O9
Mol. Mass.:
782.8863
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)OC(=O)C(N)CCCN=C(N)N)C(C)C |r,wU:4.3,19.20,12.16,14.44,wD:8.56,27.28,(9.19,-39.83,;10.55,-39.1,;10.59,-37.55,;11.86,-39.89,;13.22,-39.16,;14.7,-39.59,;14.82,-41.13,;13.63,-42.13,;16.32,-41.51,;17.17,-40.22,;18.68,-40.53,;19.24,-41.97,;19.39,-39.44,;20.86,-39.32,;21.19,-37.88,;19.94,-37.09,;18.81,-38.08,;19.47,-36.23,;20.74,-35.73,;18.31,-35.5,;18.35,-33.96,;19.71,-33.24,;21.07,-34.17,;19.77,-31.69,;16.89,-36.09,;15.86,-34.94,;16.19,-33.44,;14.45,-35.54,;13.15,-34.72,;13.09,-33.18,;14.51,-32.59,;14.38,-31.06,;12.88,-30.69,;12.15,-29.34,;10.61,-29.3,;9.8,-30.62,;10.54,-31.97,;12.08,-32.01,;14.58,-37.08,;13.15,-37.64,;11.84,-36.81,;22.61,-37.29,;23.95,-38.06,;23.95,-39.6,;25.28,-37.29,;26.61,-38.06,;25.28,-35.75,;26.61,-34.98,;26.61,-33.44,;27.95,-32.67,;27.95,-31.13,;29.28,-30.36,;26.61,-30.36,;17.07,-42.86,;16.29,-44.18,;18.62,-42.87,)|
Structure:
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