Reaction Details
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Target
Interstitial collagenase
Ligand
BDBM50518291
Substrate
n/a
Meas. Tech.
ChEMBL_1871062 (CHEMBL4372229)
IC50
45±n/a nM
Citation
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More Info.:
Target
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:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
Inhibitor
Name:
BDBM50518291
Synonyms:
CHEMBL4584813
Type:
Small organic molecule
Emp. Form.:
C70H72N10O18S2
Mol. Mass.:
1405.507
SMILES:
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|