Reaction Details |
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Target | Stromelysin-1 |
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Ligand | BDBM50076343 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_104749 (CHEMBL715874) |
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Ki | 3300±n/a nM |
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Citation | Rizzo, RC; Toba, S; Kuntz, ID A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations. J Med Chem47:3065-74 (2004) [PubMed] Article |
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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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BDBM50076343 |
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n/a |
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Name | BDBM50076343 |
Synonyms: | (S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide | CHEMBL39553 |
Type | Small organic molecule |
Emp. Form. | C12H13N5O2S2 |
Mol. Mass. | 323.394 |
SMILES | NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 |
Structure |
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