Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeutrophil collagenase
LigandBDBM50265079
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1432370 (CHEMBL3384475)
IC50>30000±n/a nM
Citation Fabre, BRamos, Ade Pascual-Teresa, B Targeting matrix metalloproteinases: exploring the dynamics of the s1' pocket in the design of selective, small molecule inhibitors. J Med Chem57:10205-19 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neutrophil collagenase
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:
MFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQSTRKNGTNVIV
EKLKEMQRFFGLNVTGKPNEETLDMMKKPRCGVPDSGGFMLTPGNPKWERTNLTYRIRNY
TPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGIL
AHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYA
FRETSNYSLPQDDIDGIQAIYGLSSNPIQPTGPSTPKPCDPSLTFDAITTLRGEILFFKD
RYFWRRHPQLQRVEMNFISLFWPSLPTGIQAAYEDFDRDLIFLFKGNQYWALSGYDILQG
YPKDISNYGFPSSVQAIDAAVFYRSKTYFFVNDQFWRYDNQRQFMEPGYPKSISGAFPGI
ESKVDAVFQQEHFFHVFSGPRYYAFDLIAQRVTRVARGNKWLNCRYG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50265079
n/a
NameBDBM50265079
Synonyms:(4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid) | 4-((1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzoic acid | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | CHEMBL496942 | MMP Inhibitor, 5
TypeSmall organic molecule
Emp. Form.C26H20N2O4
Mol. Mass.424.448
SMILESCn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: