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Target
Interstitial collagenase
Ligand
BDBM50559552
Substrate
n/a
Meas. Tech.
ChEMBL_2069785 (CHEMBL4725038)
IC50
>10000±n/a nM
Citation
 Leiris, S; Davies, DT; Sprynski, N; Castandet, J; Beyria, L; Bodnarchuk, MS; Sutton, JM; Mullins, TMG; Jones, MW; Forrest, AK; Pallin, TD; Karunakar, P; Martha, SK; Parusharamulu, B; Ramula, R; Kotha, V; Pottabathini, N; Pothukanuri, S; Lemonnier, M; Everett, M Virtual Screening Approach to Identifying a Novel and Tractable Series of  ACS Med Chem Lett 12:217-227 (2021) [PubMed]  Article 
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:
BDBM50559552
Synonyms:
CHEMBL4776002
Type:
Small organic molecule
Emp. Form.:
C20H18N2O3S
Mol. Mass.:
366.434
SMILES:
OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc2ccccc2s1
Structure:
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