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Target
72 kDa type IV collagenase
Ligand
BDBM50026717
Substrate
n/a
Meas. Tech.
ChEMBL_798829 (CHEMBL1943705)
IC50
3981±n/a nM
Citation
 De Savi, C; Morley, AD; Nash, I; Karoutchi, G; Page, K; Ting, A; Gerhardt, S Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2. Bioorg Med Chem Lett 22:271-7 (2011) [PubMed]  Article 
Target
Name:
72 kDa type IV collagenase
Synonyms:
72 kDa gelatinase | 72 kDa type IV collagenase precursor | CLG4A | Gelatinase A | Gelatinase A (MMP-2) | MMP2 | MMP2_HUMAN | Matrix metalloproteinase-2 | Matrix metalloproteinase-2 (MMP 2) | Matrix metalloproteinase-2 (MMP2) | Matrix metalloproteinases 2 (MMP-2) | TBE-1
Type:
Enzyme
Mol. Mass.:
73870.36
Organism:
Homo sapiens (Human)
Description:
P08253
Residue:
660
Sequence:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50026717
Synonyms:
CHEMBL1940278
Type:
Small organic molecule
Emp. Form.:
C29H29N3O3
Mol. Mass.:
467.5589
SMILES:
C[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1)c1ccncc1 |r,wU:18.19,1.0,(18.05,-6.59,;18.05,-8.13,;19.38,-8.91,;20.72,-8.14,;20.73,-6.6,;22.05,-8.92,;23.39,-8.15,;24.72,-8.93,;24.71,-10.47,;26.04,-11.25,;27.38,-10.48,;27.39,-8.94,;28.73,-8.18,;30.06,-8.97,;30.05,-10.5,;28.72,-11.26,;31.39,-8.2,;32.73,-7.44,;34.04,-6.66,;34.03,-8.18,;34.02,-5.13,;35.33,-4.36,;37.45,-4.78,;37.49,-6.96,;35.36,-7.4,;36.66,-6.62,;36.64,-5.12,;23.38,-11.24,;22.05,-10.47,;16.71,-8.9,;15.37,-8.12,;14.04,-8.89,;14.03,-10.43,;15.37,-11.21,;16.7,-10.44,)|
Structure:
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