Reaction Details Report a problem with these data
Target
ATP-binding cassette sub-family C member 2
Ligand
BDBM50237605
Substrate
n/a
Meas. Tech.
ChEMBL_1678645 (CHEMBL4028922)
IC50
>133000±n/a nM
Citation
 Morgan, RE; van Staden, CJ; Chen, Y; Kalyanaraman, N; Kalanzi, J; Dunn, RT; Afshari, CA; Hamadeh, HK A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci 136:216-41 (2013) [PubMed]  Article 
Target
Name:
ATP-binding cassette sub-family C member 2
Synonyms:
ABCC2 | ATP-binding cassette sub-family C member 2 | CMOAT | CMOAT1 | CMRP | Canalicular multidrug resistance protein | Canalicular multispecific organic anion transporter 1 | Export Pump, ABCC2 | MRP2 | MRP2_HUMAN | Multidrug resistance-associated protein 2 | Multidrug resistance-associated protein 2 (MRP2) | Multidrug resistance-associated protein 3 (MRP3)
Type:
Protein
Mol. Mass.:
174229.45
Organism:
Homo sapiens (Human)
Description:
Q92887
Residue:
1545
Sequence:
MLEKFCNSTFWNSSFLDSPEADLPLCFEQTVLVWIPLGYLWLLAPWQLLHVYKSRTKRSSTTKLYLAKQVFVGFLLILAAIELALVLTEDSGQATVPAVRYTNPSLYLGTWLLVLLIQYSRQWCVQKNSWFLSLFWILSILCGTFQFQTLIRTLLQGDNSNLAYSCLFFISYGFQILILIFSAFSENNESSNNPSSIASFLSSITYSWYDSIILKGYKRPLTLEDVWEVDEEMKTKTLVSKFETHMKRELQKARRALQRRQEKSSQQNSGARLPGLNKNQSQSQDALVLEDVEKKKKKSGTKKDVPKSWLMKALFKTFYMVLLKSFLLKLVNDIFTFVSPQLLKLLISFASDRDTYLWIGYLCAILLFTAALIQSFCLQCYFQLCFKLGVKVRTAIMASVYKKALTLSNLARKEYTVGETVNLMSVDAQKLMDVTNFMHMLWSSVLQIVLSIFFLWRELGPSVLAGVGVMVLVIPINAILSTKSKTIQVKNMKNKDKRLKIMNEILSGIKILKYFAWEPSFRDQVQNLRKKELKNLLAFSQLQCVVIFVFQLTPVLVSVVTFSVYVLVDSNNILDAQKAFTSITLFNILRFPLSMLPMMISSMLQASVSTERLEKYLGGDDLDTSAIRHDCNFDKAMQFSEASFTWEHDSEATVRDVNLDIMAGQLVAVIGPVGSGKSSLISAMLGEMENVHGHITIKGTTAYVPQQSWIQNGTIKDNILFGTEFNEKRYQQVLEACALLPDLEMLPGGDLAEIGEKGINLSGGQKQRISLARATYQNLDIYLLDDPLSAVDAHVGKHIFNKVLGPNGLLKGKTRLLVTHSMHFLPQVDEIVVLGNGTIVEKGSYSALLAKKGEFAKNLKTFLRHTGPEEEATVHDGSEEEDDDYGLISSVEEIPEDAASITMRRENSFRRTLSRSSRSNGRHLKSLRNSLKTRNVNSLKEDEELVKGQKLIKKEFIETGKVKFSIYLEYLQAIGLFSIFFIILAFVMNSVAFIGSNLWLSAWTSDSKIFNSTDYPASQRDMRVGVYGALGLAQGIFVFIAHFWSAFGFVHASNILHKQLLNNILRAPMRFFDTTPTGRIVNRFAGDISTVDDTLPQSLRSWITCFLGIISTLVMICMATPVFTIIVIPLGIIYVSVQMFYVSTSRQLRRLDSVTRSPIYSHFSETVSGLPVIRAFEHQQRFLKHNEVRIDTNQKCVFSWITSNRWLAIRLELVGNLTVFFSALMMVIYRDTLSGDTVGFVLSNALNITQTLNWLVRMTSEIETNIVAVERITEYTKVENEAPWVTDKRPPPDWPSKGKIQFNNYQVRYRPELDLVLRGITCDIGSMEKIGVVGRTGAGKSSLTNCLFRILEAAGGQIIIDGVDIASIGLHDLREKLTIIPQDPILFSGSLRMNLDPFNNYSDEEIWKALELAHLKSFVASLQLGLSHEVTEAGGNLSIGQRQLLCLGRALLRKSKILVLDEATAAVDLETDNLIQTTIQNEFAHCTVITIAHRLHTIMDSDKVMVLDNGKIIECGSPEELLQIPGPFYFMAKEAGIENVNSTKF
  
Inhibitor
Name:
BDBM50237605
Synonyms:
Achromycin | Achromycin V | CHEBI:27902 | Cyclopar | E701 | Economycin | Liquamycin | Panmycin | Supramycin | Sustamycin | Tetrabid Organon | Tetracycline | Tetracyn | Vetquamycin
Type:
Small organic molecule
Emp. Form.:
C22H24N2O8
Mol. Mass.:
444.4346
SMILES:
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |r,t:5,16|
Structure:
Search PDB for entries with ligand similarity: