Reaction Details Report a problem with these data
Target
Neutrophil collagenase
Ligand
BDBM50064345
Substrate
n/a
Meas. Tech.
ChEMBL_105216 (CHEMBL713853)
Ki
9±n/a nM
Citation
 Cherney, RJ; Wang, L; Meyer, DT; Xue, CB; Wasserman, ZR; Hardman, KD; Welch, PK; Covington, MB; Copeland, RA; Arner, EC; DeGrado, WF; Decicco, CP Macrocyclic amino carboxylates as selective MMP-8 inhibitors. J Med Chem 41:1749-51 (1998) [PubMed]  Article 
Target
Name:
Neutrophil collagenase
Synonyms:
CLG1 | MMP-8 | MMP8 | MMP8_HUMAN | Matrix metalloproteinase-8 | Neutrophil collagenase precursor | PMNL collagenase | PMNL-CL
Type:
Enzyme
Mol. Mass.:
53413.48
Organism:
Homo sapiens (Human)
Description:
P22894
Residue:
467
Sequence:
MFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQSTRKNGTNVIVEKLKEMQRFFGLNVTGKPNEETLDMMKKPRCGVPDSGGFMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYGLSSNPIQPTGPSTPKPCDPSLTFDAITTLRGEILFFKDRYFWRRHPQLQRVEMNFISLFWPSLPTGIQAAYEDFDRDLIFLFKGNQYWALSGYDILQGYPKDISNYGFPSSVQAIDAAVFYRSKTYFFVNDQFWRYDNQRQFMEPGYPKSISGAFPGIESKVDAVFQQEHFFHVFSGPRYYAFDLIAQRVTRVARGNKWLNCRYG
  
Inhibitor
Name:
BDBM50064345
Synonyms:
(3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcarbamoyl-2,8-dioxo-1,4,9triaza-cyclotetradecane-5-carboxylic acid | CHEMBL48256
Type:
Small organic molecule
Emp. Form.:
C28H36N4O5
Mol. Mass.:
508.6092
SMILES:
CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: