Target
72 kDa type IV collagenase
Ligand
BDBM50361633
Substrate
n/a
Meas. Tech.
ChEMBL_799145 (CHEMBL1942129)
IC50
>24000±n/a nM
Citation
 Taylor, SJAbeywardane, ALiang, SMuegge, IPadyana, AKXiong, ZHill-Drzewi, MFarmer, BLi, XCollins, BLi, JXHeim-Riether, AProudfoot, JZhang, QGoldberg, DZuvela-Jelaska, LZaher, HLi, JFarrow, NA Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J Med Chem 54:8174-87 (2011) [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:
BDBM50361633
Synonyms:
CHEMBL1939875 | US8785489, ethyl 5-(1-methyl-3-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]carbamoyl}-1H-pyrazol-5-yl)-1H-indole-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H21N5O4
Mol. Mass.:
419.4332
SMILES:
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(=O)[nH]c1
Structure:
Search PDB for entries with ligand similarity: