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Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50431947
Substrate
n/a
Meas. Tech.
ChEMBL_1283989 (CHEMBL3106899)
IC50
23000±n/a nM
Citation
 Sogame, S; Suenaga, Y; Atobe, M; Kawanishi, M; Tanaka, E; Miyoshi, S Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping. Eur J Med Chem 71:250-8 (2014) [PubMed]  Article 
Target
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:
MSQTGSHPGRGLAGRWLWGAQPCLLLPIVPLSWLVWLLLLLLASLLPSARLASPLPREEEIVFPEKLNGSVLPGSGAPARLLCRLQAFGETLLLELEQDSGVQVEGLTVQYLGQAPELLGGAEPGTYLTGTINGDPESVASLHWDGGALLGVLQYRGAELHLQPLEGGTPNSAGGPGAHILRRKSPASGQGPMCNVKAPLGSPSPRPRRAKRFASLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSLVVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCAALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCLHMDQLQDFNIPQAGGWGPWGPWGDCSRTCGGGVQFSSRDCTRPVPRNGGKYCEGRRTRFRSCNTEDCPTGSALTFREEQCAAYNHRTDLFKSFPGPMDWVPRYTGVAPQDQCKLTCQAQALGYYYVLEPRVVDGTPCSPDSSSVCVQGRCIHAGCDRIIGSKKKFDKCMVCGGDGSGCSKQSGSFRKFRYGYNNVVTIPAGATHILVRQQGNPGHRSIYLALKLPDGSYALNGEYTLMPSPTDVVLPGAVSLRYSGATAASETLSGHGPLAQPLTLQVLVAGNPQDTRLRYSFFVPRPTPSTPRPTPQDWLHRRAQILEILRRRPWAGRK
  
Inhibitor
Name:
BDBM50431947
Synonyms:
CHEMBL2348091
Type:
Small organic molecule
Emp. Form.:
C15H13N3O3S2
Mol. Mass.:
347.412
SMILES:
OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Structure:
Search PDB for entries with ligand similarity: