Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase receptor
Ligand
BDBM144289
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.77±n/a nM
Citation
 Shimada, I; Kurosawa, K; Matsuya, T; Iikubo, K; Kondoh, Y; Kamikawa, A; Tomiyama, H; Iwai, Y Diamino heterocyclic carboxamide compound US Patent  US8969336 Publication Date 3/3/2015 
Target
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:
MDGFAGSLDDSISAASTSDVQDRLSALESRVQQQEDEITVLKAALADVLRRLAISEDHVASVKKSVSSKGQPSPRAVIPMSCITNGSGANRKPSHTSAVSIAGKETLSSAAKSGTEKKKEKPQGQREKKEESHSNDQSPQIRASPSPQPSSQPLQIHRQTPESKNATPTKSIKRPSPAEKSHNSWENSDDSRNKLSKIPSTPKLIPKVTKTADKHKDVIINQAKMSTREKNSQVYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAAPPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPTSLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPSSLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP
  
Inhibitor
Name:
BDBM144289
Synonyms:
US8969336, 354
Type:
Small organic molecule
Emp. Form.:
C25H34F3N7O2
Mol. Mass.:
521.5784
SMILES:
CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:30.32,(4.72,1.95,;4.72,.41,;3.38,-.36,;2,.38,;.67,-.38,;-.1,.95,;.67,2.28,;-1.64,.95,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-6,.38,;-6,1.93,;-7.34,2.69,;-8.72,1.95,;-10.05,2.72,;-8.67,.38,;-7.34,-.38,;-4.72,-1.95,;-3.33,-2.69,;-6.05,-2.72,;-7.38,-3.49,;-5.28,-4.06,;-6.82,-1.39,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;10,.38,;7.34,.38,;6,-.38,)|
Structure:
Search PDB for entries with ligand similarity: