Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50001013
Substrate
n/a
Meas. Tech.
ChEBML_49492
IC50
220±n/a nM
Citation
 Bols, M; Binderup, L; Hansen, J; Rasmussen, P Inhibition of collagenase by aranciamycin and aranciamycin derivatives. J Med Chem 35:2768-71 (1992) [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:
BDBM50001013
Synonyms:
CHEMBL93959 | Phosphoric acid 4-(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-5,7-dihydroxy-3-methoxy-2-methyl-1,6,11-trioxo-1,2,3,4,6,11-hexahydro-naphthacen-2-yl ester diethyl ester
Type:
Small organic molecule
Emp. Form.:
C31H37O15P
Mol. Mass.:
680.5902
SMILES:
CCOP(=O)(OCC)O[C@@]1(C)[C@@H](OC)[C@H](OC2OC(C)C(O)C(O)C2OC)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2C1=O
Structure:
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