Reaction Details  Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50098298
Substrate
n/a
Meas. Tech.
ChEMBL_104376 (CHEMBL715837)
pH
7.4±n/a
IC50
6±n/a nM
Comments
extracted
Citation
 Natchus, MG; Bookland, RG; Laufersweiler, MJ; Pikul, S; Almstead, NG; De, B; Janusz, MJ; Hsieh, LC; Gu, F; Pokross, ME; Patel, VS; Garver, SM; Peng, SX; Branch, TM; King, SL; Baker, TR; Foltz, DJ; Mieling, GE Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J Med Chem 44:1060-71 (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:
BDBM50098298
Synonyms:
2-[4-(4-Bromo-benzoylamino)-benzenesulfonylamino]-6-methoxy-hex-4-ynoic acid | CHEMBL10761
Type:
Small organic molecule
Emp. Form.:
C20H19BrN2O6S
Mol. Mass.:
495.344
SMILES:
COCC#CCC(NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C(O)=O
Structure:
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