Reaction Details |
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Target | Multidrug and toxin extrusion protein 1 |
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Ligand | BDBM520 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_934312 (CHEMBL2320298) |
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IC50 | 2100±n/a nM |
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Citation | Wittwer, MB; Zur, AA; Khuri, N; Kido, Y; Kosaka, A; Zhang, X; Morrissey, KM; Sali, A; Huang, Y; Giacomini, KM Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem56:781-95 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Multidrug and toxin extrusion protein 1 |
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Name: | Multidrug and toxin extrusion protein 1 |
Synonyms: | MATE-1 | MATE1 | S47A1_HUMAN | SLC47A1 | Solute carrier family 47 member 1 | hMATE-1 |
Type: | PROTEIN |
Mol. Mass.: | 61928.01 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_934313 |
Residue: | 570 |
Sequence: | MEAPEEPAPVRGGPEATLEVRGSRCLRLSAFREELRALLVLAGPAFLVQLMVFLISFISS
VFCGHLGKLELDAVTLAIAVINVTGVSVGFGLSSACDTLISQTYGSQNLKHVGVILQRSA
LVLLLCCFPCWALFLNTQHILLLFRQDPDVSRLTQTYVTIFIPALPATFLYMLQVKYLLN
QGIVLPQIVTGVAANLVNALANYLFLHQLHLGVIGSALANLISQYTLALLLFLYILGKKL
HQATWGGWSLECLQDWASFLRLAIPSMLMLCMEWWAYEVGSFLSGILGMVELGAQSIVYE
LAIIVYMVPAGFSVAASVRVGNALGAGDMEQARKSSTVSLLITVLFAVAFSVLLLSCKDH
VGYIFTTDRDIINLVAQVVPIYAVSHLFEALACTSGGVLRGSGNQKVGAIVNTIGYYVVG
LPIGIALMFATTLGVMGLWSGIIICTVFQAVCFLGFIIQLNWKKACQQAQVHANLKVNNV
PRSGNSALPQDPLHPGCPENLEGILTNDVGKTGEPQSDQQMRQEEPLPEHPQDGAKLSRK
QLVLRRGLLLLGVFLILLVGILVRFYVRIQ
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BDBM520 |
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n/a |
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Name | BDBM520 |
Synonyms: | 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate | ABT-538 | CHEMBL163 | Norvir | RTV | Ritonavir |
Type | Small organic molecule |
Emp. Form. | C37H48N6O5S2 |
Mol. Mass. | 720.944 |
SMILES | CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |
Structure |
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