Reaction Details |
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Target | Stromelysin-1 |
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Ligand | BDBM50104006 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_104730 (CHEMBL710731) |
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IC50 | 0.700000±n/a nM |
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Citation | Hanessian, S; MacKay, DB; Moitessier, N Design and synthesis of matrix metalloproteinase inhibitors guided by molecular modeling. Picking the S(1) pocket using conformationally constrained inhibitors. J Med Chem44:3074-82 (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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BDBM50104006 |
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n/a |
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Name | BDBM50104006 |
Synonyms: | 4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide | CHEMBL320402 |
Type | Small organic molecule |
Emp. Form. | C22H30N2O5S2 |
Mol. Mass. | 466.614 |
SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO |
Structure |
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