Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetA disintegrin and metalloproteinase with thrombospondin motifs 4
LigandBDBM50395679
Substrate/Competitorn/a
Meas. Tech.ChEMBL_860057 (CHEMBL2167993)
IC50 1500±n/a nM
Citation Deng, HO'Keefe, HDavie, CPLind, KEAcharya, RAFranklin, GJLarkin, JMatico, RNeeb, MThompson, MMLohr, TGross, JWCentrella, PAO'Donovan, GKBedard, KLvan Vloten, KMataruse, SSkinner, SRBelyanskaya, SLCarpenter, TYShearer, TWClark, MACuozzo, JWArico-Muendel, CCMorgan, BA Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT). J Med Chem55:7061-79 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
A disintegrin and metalloproteinase with thrombospondin motifs 4
Name:A disintegrin and metalloproteinase with thrombospondin motifs 4
Synonyms:A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) | ADAMTS4 | ATS4_HUMAN | Aggrecanase-1 | KIAA0688 | Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
Type:Enzyme
Mol. Mass.:90214.54
Organism:Homo sapiens (Human)
Description:O75173
Residue:837
Sequence:
MSQTGSHPGRGLAGRWLWGAQPCLLLPIVPLSWLVWLLLLLLASLLPSARLASPLPREEE
IVFPEKLNGSVLPGSGAPARLLCRLQAFGETLLLELEQDSGVQVEGLTVQYLGQAPELLG
GAEPGTYLTGTINGDPESVASLHWDGGALLGVLQYRGAELHLQPLEGGTPNSAGGPGAHI
LRRKSPASGQGPMCNVKAPLGSPSPRPRRAKRFASLSRFVETLVVADDKMAAFHGAGLKR
YLLTVMAAAAKAFKHPSIRNPVSLVVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLN
TPEDSDPDHFDTAILFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAA
HELGHVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGY
GHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCAALWCSGHLNGHA
MCQTKHSPWADGTPCGPAQACMGGRCLHMDQLQDFNIPQAGGWGPWGPWGDCSRTCGGGV
QFSSRDCTRPVPRNGGKYCEGRRTRFRSCNTEDCPTGSALTFREEQCAAYNHRTDLFKSF
PGPMDWVPRYTGVAPQDQCKLTCQAQALGYYYVLEPRVVDGTPCSPDSSSVCVQGRCIHA
GCDRIIGSKKKFDKCMVCGGDGSGCSKQSGSFRKFRYGYNNVVTIPAGATHILVRQQGNP
GHRSIYLALKLPDGSYALNGEYTLMPSPTDVVLPGAVSLRYSGATAASETLSGHGPLAQP
LTLQVLVAGNPQDTRLRYSFFVPRPTPSTPRPTPQDWLHRRAQILEILRRRPWAGRK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50395679
n/a
NameBDBM50395679
Synonyms:CHEMBL2164121
TypeSmall organic molecule
Emp. Form.C29H36N8O2S3
Mol. Mass.624.844
SMILESCCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2csc(n2)-c2cccs2)n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: