Reaction Details | |||
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Target | Collagenase 3 | ||
Ligand | BDBM50101737 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_106479 | ||
IC50 | 81±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Collagenase 3 | |||
Name: | Collagenase 3 | ||
Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) | ||
Type: | Enzyme | ||
Mol. Mass.: | 53808.06 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P45452 | ||
Residue: | 471 | ||
Sequence: |
| ||
BDBM50101737 | |||
n/a | |||
Name | BDBM50101737 | ||
Synonyms: | (R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[methyl-(morpholine-4-carbonyl)-amino]-cyclohexyl}-acetic acid | CHEMBL410737 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H35N3O7S | ||
Mol. Mass. | 545.648 | ||
SMILES | COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O |wU:22.27,19.21,wD:18.19,(19.06,4.14,;17.73,4.89,;16.38,4.12,;16.38,2.58,;15.06,1.81,;13.73,2.58,;13.73,4.12,;15.03,4.89,;12.39,1.81,;12.39,.23,;11.05,-.52,;9.72,.23,;9.72,1.79,;11.05,2.58,;8.39,-.52,;7.28,-1.62,;9.47,-1.62,;7.02,.23,;5.69,-.52,;5.69,-2.08,;7.02,-2.83,;7.02,-4.38,;5.67,-5.16,;4.36,-4.38,;4.36,-2.83,;5.69,-6.69,;7.02,-7.46,;4.36,-7.49,;4.36,-9.04,;3.03,-6.72,;1.69,-7.49,;.36,-6.72,;.36,-5.18,;1.69,-4.4,;3.03,-5.18,;4.36,.23,;3.03,-.52,;4.36,1.79,)| | ||
Structure | ![]() |