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Target
72 kDa type IV collagenase
Ligand
BDBM50104975
Substrate
n/a
Meas. Tech.
ChEMBL_104537 (CHEMBL872559)
Ki
>2000±n/a nM
Citation
 Xue, CB; He, X; Corbett, RL; Roderick, J; Wasserman, ZR; Liu, RQ; Jaffee, BD; Covington, MB; Qian, M; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Discovery of macrocyclic hydroxamic acids containing biphenylmethyl derivatives at P1', a series of selective TNF-alpha converting enzyme inhibitors with potent cellular activity in the inhibition of TNF-alpha release. J Med Chem 44:3351-4 (2001) [PubMed]
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:
BDBM50104975
Synonyms:
(8S,11R,12S)-2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide] | (8S,11R,12S)-N12-hydroxy-N8-(2-morpholino-2-oxoethyl)-2,10-dioxo-11-((2'-(trifluoromethyl)biphenyl-4-yl)methyl)-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide | 2,10-Dioxo-11-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide] | CHEMBL325163
Type:
Small organic molecule
Emp. Form.:
C34H42F3N5O8
Mol. Mass.:
705.7212
SMILES:
ONC(=O)[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)NCC(=O)N1CCOCC1 |r|
Structure:
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