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Target
72 kDa type IV collagenase
Ligand
BDBM50216009
Substrate
n/a
Meas. Tech.
ChEMBL_456575 (CHEMBL922941)
Ki
>3333±n/a nM
Citation
 Gilmore, JL; King, BW; Asakawa, N; Harrison, K; Tebben, A; Sheppeck, JE; Liu, RQ; Covington, M; Duan, JJ Synthesis and structure-activity relationship of a novel, non-hydroxamate series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 17:4678-82 (2007) [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:
BDBM50216009
Synonyms:
CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)methoxy)-N-(3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-4-yl)benzamide
Type:
Small organic molecule
Emp. Form.:
C25H26N6O2S
Mol. Mass.:
474.578
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: