Reaction Details |
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Target | Collagenase 3 |
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Ligand | BDBM40467 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_799260 (CHEMBL1941810) |
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Ki | 3800±n/a nM |
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Citation | Roth, J; Minond, D; Darout, E; Liu, Q; Lauer, J; Hodder, P; Fields, GB; Roush, WR Identification of novel, exosite-binding matrix metalloproteinase-13 inhibitor scaffolds. Bioorg Med Chem Lett21:7180-4 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Collagenase 3 |
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Name: | Collagenase 3 |
Synonyms: | MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13) |
Type: | Enzyme |
Mol. Mass.: | 53808.06 |
Organism: | Homo sapiens (Human) |
Description: | P45452 |
Residue: | 471 |
Sequence: | MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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BDBM40467 |
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n/a |
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Name | BDBM40467 |
Synonyms: | 2-[(4-chlorobenzyl)thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | 2-[(4-chlorobenzyl)thio]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one | 2-[(4-chlorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | 2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | CHEMBL473326 | MLS000062185 | SMR000070991 | cid_2047223 |
Type | Small organic molecule |
Emp. Form. | C14H13ClN2OS |
Mol. Mass. | 292.784 |
SMILES | Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 |
Structure |
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