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TargetMultidrug and toxin extrusion protein 1
LigandBDBM520
Substrate/Competitorn/a
Meas. Tech.ChEMBL_934320 (CHEMBL2320306)
IC50 4400±n/a nM
Citation Wittwer, MBZur, AAKhuri, NKido, YKosaka, AZhang, XMorrissey, KMSali, AHuang, YGiacomini, 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
More Info.:Get all data from this article,  Assay Method
 
Multidrug and toxin extrusion protein 1
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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  Blast E-value cutoff:
BDBM520
n/a
NameBDBM520
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
TypeSmall organic molecule
Emp. Form.C37H48N6O5S2
Mol. Mass.720.944
SMILESCC(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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