Reaction Details |
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Target | Solute carrier family 22 member 1 |
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Ligand | BDBM517 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_934316 (CHEMBL2320302) |
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IC50 | 208000±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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Solute carrier family 22 member 1 |
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Name: | Solute carrier family 22 member 1 |
Synonyms: | Adrenergic Alpha | OCT1 | Organic cation transporter 1 | S22A1_HUMAN | SLC22A1 | Solute carrier family 22 member 1 | hOCT1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 61154.85 |
Organism: | Homo sapiens (Human) |
Description: | Adrenergic Alpha 0 HUMAN::O15245 |
Residue: | 554 |
Sequence: | MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHCQSPGVAELSQ
RCGWSPAEELNYTVPGLGPAGEAFLGQCRRYEVDWNQSALSCVDPLASLATNRSHLPLGP
CQDGWVYDTPGSSIVTEFNLVCADSWKLDLFQSCLNAGFLFGSLGVGYFADRFGRKLCLL
GTVLVNAVSGVLMAFSPNYMSMLLFRLLQGLVSKGNWMAGYTLITEFVGSGSRRTVAIMY
QMAFTVGLVALTGLAYALPHWRWLQLAVSLPTFLFLLYYWCVPESPRWLLSQKRNTEAIK
IMDHIAQKNGKLPPADLKMLSLEEDVTEKLSPSFADLFRTPRLRKRTFILMYLWFTDSVL
YQGLILHMGATSGNLYLDFLYSALVEIPGAFIALITIDRVGRIYPMAMSNLLAGAACLVM
IFISPDLHWLNIIIMCVGRMGITIAIQMICLVNAELYPTFVRNLGVMVCSSLCDIGGIIT
PFIVFRLREVWQALPLILFAVLGLLAAGVTLLLPETKGVALPETMKDAENLGRKAKPKEN
TIYLKVQTSEPSGT
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BDBM517 |
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n/a |
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Name | BDBM517 |
Synonyms: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639 |
Type | Small organic molecule |
Emp. Form. | C36H47N5O4 |
Mol. Mass. | 613.7895 |
SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9| |
Structure |
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