| Reaction Details |
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 | Report a problem with these data |
| Target | Matrix metalloproteinase-9 |
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| Ligand | BDBM50024401 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_307380 (CHEMBL835394) |
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| Ki | 1.1±n/a nM |
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| Citation |  Khandelwal, A; Lukacova, V; Comez, D; Kroll, DM; Raha, S; Balaz, S A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands. J Med Chem48:5437-47 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Matrix metalloproteinase-9 |
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| Name: | Matrix metalloproteinase-9 |
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| Synonyms: | 67 kDa matrix metalloproteinase-9 | 82 kDa matrix metalloproteinase-9 | 92 kDa gelatinase | 92 kDa type IV collagenase | CLG4B | GELB | Gelatinase B | MMP-9 | MMP9 | MMP9_HUMAN | Matrix metalloproteinase 9 (MMP-9) | Matrix metalloproteinase-9 (MMP-9) | Matrix metalloproteinase-9 (MMP9) |
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| Type: | Enzyme |
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| Mol. Mass.: | 78452.28 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P14780 |
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| Residue: | 707 |
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| Sequence: | MSLWQPLVLVLLVLGCCFAAPRQRQSTLVLFPGDLRTNLTDRQLAEEYLYRYGYTRVAEM
RGESKSLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHN
ITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYP
FDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGRS
YSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTQDGNADGKPCQFPFIFQGQSYS
ACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMGGNSAGELCVFPFTFLGKEYST
CTSEGRGDGRLWCATTSNFDSDKKWGFCPDQGYSLFLVAAHEFGHALGLDHSSVPEALMY
PMYRFTEGPPLHKDDVNGIRHLYGPRPEPEPRPPTTTTPQPTAPPTVCPTGPPTVHPSER
PTAGPTGPPSAGPTGPPTAGPSTATTVPLSPVDDACNVNIFDAIAEIGNQLYLFKDGKYW
RFSEGRGSRPQGPFLIADKWPALPRKLDSVFEERLSKKLFFFSGRQVWVYTGASVLGPRR
LDKLGLGADVAQVTGALRSGRGKMLLFSGRRLWRFDVKAQMVDPRSASEVDRMFPGVPLD
THDVFQYREKAYFCQDRFYWRVSSRSELNQVDQVGYVTYDILQCPED
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| BDBM50024401 |
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| n/a |
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| Name | BDBM50024401 |
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| Synonyms: | CHEMBL190712 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H26N3O5P |
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| Mol. Mass. | 431.422 |
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| SMILES | CCOP(=O)(N1CC2Nc3ccccc3C2C[C@@H]1C(=O)NO)c1ccc(OC)cc1 |
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| Structure | 
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