| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Collagenase 3 |
|---|
| Ligand | BDBM50104006 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_106482 (CHEMBL716175) |
|---|
| IC50 | 12±n/a nM |
|---|
| Citation |  Hanessian, S; MacKay, DB; Moitessier, N Design and synthesis of matrix metalloproteinase inhibitors guided by molecular modeling. Picking the S(1) pocket using conformationally constrained inhibitors. J Med Chem44:3074-82 (2001) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Collagenase 3 |
|---|
| 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
|
|
|
|---|
| BDBM50104006 |
|---|
| n/a |
|---|
| Name | BDBM50104006 |
|---|
| Synonyms: | 4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide | CHEMBL320402 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H30N2O5S2 |
|---|
| Mol. Mass. | 466.614 |
|---|
| SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO |
|---|
| Structure | 
|
|---|
Search and Browse
