Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50146634 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_105980 (CHEMBL713993) |
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IC50 | 1.3±n/a nM |
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Citation | Källblad, P; Todorov, NP; Willems, HM; Alberts, IL Receptor flexibility in the in silico screening of reagents in the S1' pocket of human collagenase. J Med Chem47:2761-7 (2004) [PubMed] Article |
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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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BDBM50146634 |
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n/a |
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Name | BDBM50146634 |
Synonyms: | CHEMBL328903 | N*1*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*4*-hydroxy-2-isobutyl-3-(6-oxo-6H-quinolizine-4-sulfonylamino)-succinamide |
Type | Small organic molecule |
Emp. Form. | C24H35N5O7S |
Mol. Mass. | 537.629 |
SMILES | CNC(=O)C(NC(=O)C(CC(C)C)C(NS(=O)(=O)c1cccc2cccc(=O)n12)C(=O)NO)C(C)(C)C |
Structure |
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