Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 7
LigandBDBM398119
Substrate/Competitorn/a
Meas. Tech.Pore Permeation Assay
IC50 55±n/a nM
Citation Karra, SR Indole derivatives and their use in neurodegenerative diseases US Patent US10323000 Publication Date 6/18/2019
More Info.:Get all data from this article,  Assay Method
 
P2X purinoceptor 7
Name:P2X purinoceptor 7
Synonyms:ATP receptor | P2RX7 | P2RX7_HUMAN | P2X purinoceptor 7 (P2RX7) | P2X purinoceptor 7 (P2X7) | P2X7 | P2Z receptor | Purinergic receptor
Type:Protein
Mol. Mass.:68602.85
Organism:Homo sapiens (Human)
Description:Q99572
Residue:595
Sequence:
MPACCSCSDVFQYETNKVTRIQSMNYGTIKWFFHVIIFSYVCFALVSDKLYQRKEPVISS
VHTKVKGIAEVKEEIVENGVKKLVHSVFDTADYTFPLQGNSFFVMTNFLKTEGQEQRLCP
EYPTRRTLCSSDRGCKKGWMDPQSKGIQTGRCVVYEGNQKTCEVSAWCPIEAVEEAPRPA
LLNSAENFTVLIKNNIDFPGHNYTTRNILPGLNITCTFHKTQNPQCPIFRLGDIFRETGD
NFSDVAIQGGIMGIEIYWDCNLDRWFHHCRPKYSFRRLDDKTTNVSLYPGYNFRYAKYYK
ENNVEKRTLIKVFGIRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLAAVFIDFLIDTYSS
NCCRSHIYPWCKCCQPCVVNEYYYRKKCESIVEPKPTLKYVSFVDESHIRMVNQQLLGRS
LQDVKGQEVPRPAMDFTDLSRLPLALHDTPPIPGQPEEIQLLRKEATPRSRDSPVWCQCG
SCLPSQLPESHRCLEELCCRKKPGACITTSELFRKLVLSRHVLQFLLLYQEPLLALDVDS
TNSRLRHCAYRCYATWRFGSQDMADFAILPSCCRWRIRKEFPKSEGQYSGFKSPY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM398119
n/a
NameBDBM398119
Synonyms:4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid (4-trifluoromethyl-cyclohexylmethyl)-amide | US10323000, Compound 53 | US10676433, Compound 53
TypeSmall organic molecule
Emp. Form.C20H22ClF3N2O2
Mol. Mass.414.849
SMILESFC(F)(F)C1CCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CC1 |(6.53,3.69,;5.44,4.78,;5.84,6.27,;6.93,5.18,;3.95,4.38,;3.55,2.9,;2.07,2.5,;.98,3.59,;-.51,3.19,;-.91,1.7,;-2.4,1.3,;-3.49,2.39,;-2.8,-.19,;-1.89,-1.43,;-2.8,-2.68,;-2.4,-4.17,;-3.17,-5.5,;-1.83,-6.27,;-1.06,-4.94,;-4.26,-2.2,;-5.59,-2.97,;-6.93,-2.2,;-6.93,-.66,;-5.59,.11,;-5.59,1.65,;-4.26,-.66,;1.38,5.07,;2.86,5.47,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: