Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50122494
Substrate
n/a
Meas. Tech.
ChEMBL_1519714 (CHEMBL3624059)
IC50
333±n/a nM
Citation
 Ding, YO'Keefe, HDeLorey, JLIsrael, DIMesser, JAChiu, CHSkinner, SRMatico, REMurray-Thompson, MFLi, FClark, MACuozzo, JWArico-Muendel, CMorgan, BA Discovery of Potent and Selective Inhibitors for ADAMTS-4 through DNA-Encoded Library Technology (ELT). ACS Med Chem Lett 6:888-93 (2015) [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:
BDBM50122494
Synonyms:
CHEMBL3622495
Type:
Small organic molecule
Emp. Form.:
C29H29FN6O
Mol. Mass.:
496.5786
SMILES:
CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccc(F)cc3C2)cc1)c1cccc(C)c1
Structure:
Search PDB for entries with ligand similarity: