Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50104963 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_106142 (CHEMBL718689) |
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Ki | 33160.0±n/a nM |
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Citation | Yao, W; Wasserman, ZR; Chao, M; Reddy, G; Shi, E; Liu, RQ; Covington, MB; Arner, EC; Pratta, MA; Tortorella, M; Magolda, RL; Newton, R; Qian, M; Ribadeneira, MD; Christ, D; Wexler, RR; Decicco, CP Design and synthesis of a series of (2R)-N(4)-hydroxy-2-(3-hydroxybenzyl)-N(1)- [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide derivatives as potent, selective, and orally bioavailable aggrecanase inhibitors. J Med Chem44:3347-50 (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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BDBM50104963 |
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n/a |
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Name | BDBM50104963 |
Synonyms: | (2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-hydroxybenzyl)succinamide | (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide | (R)-2-(Cyclopropylmethyl-amino)-N*1*-hydroxy-3-(3-hydroxy-benzyl)-N*4*-((3S,3aR)-2-hydroxy-indan-1-yl)-succinamide | 2-(Cyclopropylmethyl-amino)-N*1*-hydroxy-3-(3-hydroxy-benzyl)-N*4*-(2-hydroxy-indan-1-yl)-succinamide | CHEMBL24398 |
Type | Small organic molecule |
Emp. Form. | C24H29N3O5 |
Mol. Mass. | 439.5042 |
SMILES | ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| |
Structure |
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