Reaction Details |
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Target | 72 kDa type IV collagenase |
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Ligand | BDBM50592896 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2206237 (CHEMBL5118945) |
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IC50 | 56000±n/a nM |
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Citation | Baidya, SK; Banerjee, S; Adhikari, N; Jha, T Selective Inhibitors of Medium-Size S1' Pocket Matrix Metalloproteinases: A Stepping Stone of Future Drug Discovery. J Med Chem65:10709-10754 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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72 kDa type IV collagenase |
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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: | MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGC
PKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWD
KNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGD
GYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFN
GKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGT
SYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKY
ESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGAL
MAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQ
IRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEY
WIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDP
GFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
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BDBM50592896 |
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n/a |
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Name | BDBM50592896 |
Synonyms: | Anhydrous doxycycline | CHEBI:50845 | DOXYCYCLINE ANHYDROUS | Doxycycline (anhydrous) |
Type | Small organic molecule |
Emp. Form. | C22H24N2O8 |
Mol. Mass. | 444.4346 |
SMILES | [H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O |r,t:15,25| |
Structure |
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