Reaction Details |
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Target | 72 kDa type IV collagenase |
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Ligand | BDBM50101493 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_104539 (CHEMBL718926) |
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Ki | 812.0±n/a nM |
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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 Chem44:2333-43 (2001) [PubMed] |
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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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BDBM50101493 |
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n/a |
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Name | BDBM50101493 |
Synonyms: | CHEMBL306779 | {(S)-2-[(S)-2-Cyclohexyl-1-(2-morpholin-4-yl-ethylcarbamoyl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphonic acid | {2-[2-Cyclohexyl-1-(2-morpholin-4-yl-ethylcarbamoyl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphonic acid |
Type | Small organic molecule |
Emp. Form. | C27H44N3O6P |
Mol. Mass. | 537.6285 |
SMILES | OP(O)(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1 |
Structure |
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