Reaction Details Report a problem with these data
Target
72 kDa type IV collagenase
Ligand
BDBM50101524
Substrate
n/a
Meas. Tech.
ChEMBL_104539 (CHEMBL718926)
Ki
3.82±n/a nM
Citation
 Terp, GE; Johansen, BN; Christensen, IT; Jørgensen, FS A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities. J Med Chem 44:2333-43 (2001) [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:
BDBM50101524
Synonyms:
(R)-3-(((S)-1-(2-carboxyethylamino)-3-cyclohexyl-1-oxopropan-2-yl)carbamoyl)-6-p-tolylhexanoic acid | (R)-3-[(S)-1-(2-Carboxy-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-6-p-tolyl-hexanoic acid | 3-[1-(2-Carboxy-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-6-p-tolyl-hexanoic acid | CHEMBL306177
Type:
Small organic molecule
Emp. Form.:
C26H38N2O6
Mol. Mass.:
474.5897
SMILES:
Cc1ccc(CCC[C@H](CC(O)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: