Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase receptor
LigandBDBM144292
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 0.65±n/a nM
Citation Shimada, IKurosawa, KMatsuya, TIikubo, KKondoh, YKamikawa, ATomiyama, HIwai, Y Diamino heterocyclic carboxamide compound US Patent US8969336 Publication Date 3/3/2015
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase receptor
Name:Tyrosine-protein kinase receptor
Synonyms:EML4 ALK Fusion Protein
Type:Protein
Mol. Mass.:87656.33
Organism:Homo sapiens (Human)
Description:A9YLN7
Residue:796
Sequence:
MDGFAGSLDDSISAASTSDVQDRLSALESRVQQQEDEITVLKAALADVLRRLAISEDHVA
SVKKSVSSKGQPSPRAVIPMSCITNGSGANRKPSHTSAVSIAGKETLSSAAKSGTEKKKE
KPQGQREKKEESHSNDQSPQIRASPSPQPSSQPLQIHRQTPESKNATPTKSIKRPSPAEK
SHNSWENSDDSRNKLSKIPSTPKLIPKVTKTADKHKDVIINQAKMSTREKNSQVYRRKHQ
ELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGH
GAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIG
VSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENH
FIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEG
IFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQ
CWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPL
LVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSN
PPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPN
VATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHY
EDTILKSKNSMNQPGP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM144292
n/a
NameBDBM144292
Synonyms:US8969336, 370
TypeSmall organic molecule
Emp. Form.C30H43F3N8O2
Mol. Mass.604.71
SMILESCCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:39.43,wD:36.39,(6.72,.8,;6.72,-.74,;5.38,-1.51,;4,-.77,;2.67,-1.54,;1.58,-.45,;1.98,1.04,;.09,-.85,;2.67,-3.08,;1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,1.54,;-8,3.08,;-9.34,3.85,;-10.72,3.11,;-12.05,3.88,;-10.67,1.54,;-9.34,.77,;-2.72,-3.11,;-1.33,-3.85,;-4.05,-3.88,;-5.38,-4.65,;-3.28,-5.21,;-4.82,-2.54,;4,-3.85,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;10.67,-3.08,;10.67,-1.54,;12,-.77,;9.34,-.77,;8,-1.54,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: