Reaction Details Report a problem with these data
Target
Ataxin-1
Ligand
BDBM322006
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
3.90±n/a nM
Citation
 Beattie, D; Baettig, U; Legrand, DM; Lister, AS; McKenna, J; Pearce, DW; Sandham, DA; Steward, OR; Thomson, C Autotaxin inhibitors US Patent  US9763957 Publication Date 9/19/2017 
Target
Name:
Ataxin-1
Synonyms:
ATX1 | ATX1_HUMAN | ATXN1 | SCA1
Type:
Protein
Mol. Mass.:
86941.25
Organism:
Homo sapiens (Human)
Description:
P54253
Residue:
815
Sequence:
MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQHQHQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
  
Inhibitor
Name:
BDBM322006
Synonyms:
(R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(2-methyl-4-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)piperazin-1-yl)prop-2-en-1-one | US10183025, Example 104 | US9763957, Example 104
Type:
Small organic molecule
Emp. Form.:
C21H25ClN8O2
Mol. Mass.:
456.929
SMILES:
C[C@@H]1CN(Cc2noc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r|
Structure:
Search PDB for entries with ligand similarity: