Reaction Details |
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Target | Stromelysin-1 |
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Ligand | BDBM50101516 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_104874 (CHEMBL708551) |
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Ki | 0.8±n/a nM |
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Citation | Terp, GE; Johansen, BN; Christensen, IT; Jørgensen, FS A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities. J Med Chem44:2333-43 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Stromelysin-1 |
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Name: | Stromelysin-1 |
Synonyms: | MMP-3 | MMP3 | MMP3_HUMAN | Matrix metalloproteinase (2 and 3) | Matrix metalloproteinase 3 | Matrix metalloproteinase-3 | Matrix metalloproteinase-3 (MMP-3) | Matrix metalloproteinase-3 (MMP3) | SL-1 | STMY1 | Stromelysin 1 | Transin-1 |
Type: | Enzyme |
Mol. Mass.: | 53973.13 |
Organism: | Homo sapiens (Human) |
Description: | P08254 |
Residue: | 477 |
Sequence: | MKSLPILLLLCVAVCSAYPLDGAARGEDTSMNLVQKYLENYYDLKKDVKQFVRRKDSGPV
VKKIREMQKFLGLEVTGKLDSDTLEVMRKPRCGVPDVGHFRTFPGIPKWRKTHLTYRIVN
YTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYEGEADIMISFAVREHGDFYPFDGPGNV
LAHAYAPGPGINGDAHFDDDEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLY
HSLTDLTRFRLSQDDINGIQSLYGPPPDSPETPLVPTEPVPPEPGTPANCDPALSFDAVS
TLRGEILIFKDRHFWRKSLRKLEPELHLISSFWPSLPSGVDAAYEVTSKDLVFIFKGNQF
WAIRGNEVRAGYPRGIHTLGFPPTVRKIDAAISDKEKNKTYFFVEDKYWRFDEKRNSMEP
GFPKQIAEDFPGIDSKIDAVFEEFGFFYFFTGSSQLEFDPNAKKVTHTLKSNSWLNC
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BDBM50101516 |
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n/a |
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Name | BDBM50101516 |
Synonyms: | 3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmethyl-pentanoylamino]-3-cyclohexyl-propionylamino}-propionylamino)-propionic acid | CHEMBL76158 |
Type | Small organic molecule |
Emp. Form. | C28H41ClN4O7 |
Mol. Mass. | 581.101 |
SMILES | ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(O)=O |
Structure |
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