Target
Interstitial collagenase
Ligand
BDBM50064341
Substrate
n/a
Meas. Tech.
ChEMBL_106154 (CHEMBL718850)
Ki
1.2±n/a nM
Citation
 Xue, CBVoss, MENelson, DJDuan, JJCherney, RJJacobson, ICHe, XRoderick, JChen, LCorbett, RLWang, LMeyer, DTKennedy, KDeGradodagger, WFHardman, KDTeleha, CAJaffee, BDLiu, RQCopeland, RACovington, MBChrist, DDTrzaskos, JMNewton, RCMagolda, RLWexler, RRDecicco, CP Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem 44:2636-60 (2001) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM50064341
Synonyms:
(6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 6-hydroxyamide 10-methylamide | 7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[10.2.2]hexadeca-1(15),12(16),13-triene-6,10-dicarboxylic acid 6-hydroxyamide 10-methylamide (SE205) | CHEMBL45631
Type:
Small organic molecule
Emp. Form.:
C21H31N3O5
Mol. Mass.:
405.4879
SMILES:
CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Structure:
Search PDB for entries with ligand similarity: