Reaction Details Report a problem with these data
Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50167609
Substrate
n/a
Meas. Tech.
ChEMBL_743599 (CHEMBL1768099)
IC50
1.1±n/a nM
Citation
Shiozaki, M; Maeda, K; Miura, T; Kotoku, M; Yamasaki, T; Matsuda, I; Aoki, K; Yasue, K; Imai, H; Ubukata, M; Suma, A; Yokota, M; Hotta, T; Tanaka, M; Hase, Y; Haas, J; Fryer, AM; Laird, ER; Littmann, NM; Andrews, SW; Josey, JA; Mimura, T; Shinozaki, Y; Yoshiuchi, H; Inaba, T Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors. J Med Chem 54:2839-63 (2011) [PubMed] Article
More Info.:
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:
Human
Description:
O75173
Residue:
837
Sequence:
MSQTGSHPGRGLAGRWLWGAQPCLLLPIVPLSWLVWLLLLLLASLLPSARLASPLPREEEIVFPEKLNGSVLPGSGAPARLLCRLQAFGETLLLELEQDSGVQVEGLTVQYLGQAPELLGGAEPGTYLTGTINGDPESVASLHWDGGALLGVLQYRGAELHLQPLEGGTPNSAGGPGAHILRRKSPASGQGPMCNVKAPLGSPSPRPRRAKRFASLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSLVVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCAALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCLHMDQLQDFNIPQAGGWGPWGPWGDCSRTCGGGVQFSSRDCTRPVPRNGGKYCEGRRTRFRSCNTEDCPTGSALTFREEQCAAYNHRTDLFKSFPGPMDWVPRYTGVAPQDQCKLTCQAQALGYYYVLEPRVVDGTPCSPDSSSVCVQGRCIHAGCDRIIGSKKKFDKCMVCGGDGSGCSKQSGSFRKFRYGYNNVVTIPAGATHILVRQQGNPGHRSIYLALKLPDGSYALNGEYTLMPSPTDVVLPGAVSLRYSGATAASETLSGHGPLAQPLTLQVLVAGNPQDTRLRYSFFVPRPTPSTPRPTPQDWLHRRAQILEILRRRPWAGRK
Inhibitor
Name:
BDBM50167609
Synonyms:
(2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-5-hydroxy-3,3-dimethyl-piperidine-2-carboxylic acid hydroxyamide | CHEMBL179552
Type:
Small organic molecule
Emp. Form.:
C21H24Cl2N2O6S
Mol. Mass.:
503.396
SMILES:
CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1