Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50104708 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_106137 (CHEMBL718684) |
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Ki | 580±n/a nM |
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Citation | Schröder, J; Henke, A; Wenzel, H; Brandstetter, H; Stammler, HG; Stammler, A; Pfeiffer, WD; Tschesche, H Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J Med Chem44:3231-43 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Interstitial collagenase |
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Name: | Interstitial collagenase |
Synonyms: | CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1) |
Type: | Enzyme |
Mol. Mass.: | 54010.26 |
Organism: | Homo sapiens (Human) |
Description: | P03956 |
Residue: | 469 |
Sequence: | MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
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BDBM50104708 |
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n/a |
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Name | BDBM50104708 |
Synonyms: | (S)-N-(5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-yl)-2-(phenylsulfonamido)propanamide | 2-Benzenesulfonylamino-N-[5-(4-methoxy-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-propionamide | CHEMBL419750 |
Type | Small organic molecule |
Emp. Form. | C19H20N4O4S2 |
Mol. Mass. | 432.516 |
SMILES | COc1ccc(cc1)C1=NN=C(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)SC1 |t:9,11| |
Structure |
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