Target
Proto-oncogene tyrosine-protein kinase ROS
Ligand
BDBM50384725
Substrate
n/a
Meas. Tech.
ChEMBL_821034 (CHEMBL2039221)
IC50
5700±n/a nM
Citation
 Albaugh, PFan, YMi, YSun, FAdrian, FLi, NJia, YSarkisova, YKreusch, AHood, TLu, MLiu, GHuang, SLiu, ZLoren, JTuntland, TKaranewsky, DSSeidel, HMMolteni, V Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models. ACS Med Chem Lett 3:140-145 (2012) [PubMed]  Article 
Target
Name:
Proto-oncogene tyrosine-protein kinase ROS
Synonyms:
Proto-oncogene c-Ros | Proto-oncogene c-Ros-1 | ROS1_MOUSE | Receptor tyrosine kinase c-ros oncogene 1 | Ros | Ros-1 | Ros1 | c-Ros receptor tyrosine kinase
Type:
PROTEIN
Mol. Mass.:
261946.98
Organism:
Mus musculus
Description:
ChEMBL_821034
Residue:
2340
Sequence:
MKNICWLTLKLVKFVVLGCIIWISVAQSTVLSSCLTSCVTNLGRQLDSGTRYNLSEACIHGCQFWNSVDQETCALKCNDTYATICERESCEVGCSNAEGSYEEEVLESTELPTAPFASSIGSHGVTLRWNPANISGVKYIIQWKYAQLPGSWTFTETVSKLSYTVEPLHPFTEYIFRVVWIFTAQLHLYSPPSPSYRTHPYGVPETAPLILNMESWSPDTVEVSWAPPHFPGGPILGYNLRLISKNQKLDSGTQRTSFQFYSTLPNTTYRFSIAAVNEVGEGPEAESTVTTPSPSVQEEEQWLFLSRKTSLRKRSLKYLVDEAHCLWSDAIHHNITGISVYAQQQVVYFSEGTVIWMKGAANMSDVSDLRIFYQGSGLVSSISIDWLYQRMYFIMDKLVYVCELKNCSNLEEITPFSLIAPQKVVVDSYNGYLFYLLRDGIYRVNLPLPSGRDTKAVRIVESGTLKDFAVKPQSKRIIYFNDTMQLFMSTFLDGSAFHRVLPWVPLVTVKSFACENNDFLITDGKAIFQQDSLSFNEFIVGCDLSHIEEFGFGNLVIFGSSVQSYPLPGHPQEVSVLFGSREALIQWTPPALAIGASPSAWQNWTYEVKVYSQDILEITQVFSNISGTMLNVPELQSSTKYTVSVRASSPKGPGPWSAPSVGTTLVPATEPPFIMAVKEDGLWSKPLCSFGPGEFLSSDVGNVSDMDWYNNSLYYSDTKGNVYVRPLNGMDISENYHIPSIVGAGALAFEWLGHFLYWAGKTYVIQRQSVLTGHTDIVTHVKLLVNDMAVDSVGGYLYWTTLYSVESTRLNGESSLVLQAQPWLSGKKVIALTLDLSDGLLYWLVQDNQCIHLYTAVLRGWSGGDATITEFAAWSTSEISQNALMYYSGRLFWINGFRIITAQEIGQRTSVSVSEPAKFNQFTIIQTSLKPLPGNFSSTPKVIPDPVQESSFRIEGHTSSFQILWNEPPAVDWGIVFYSVEFSTHSKFLIIEQQSLPIFTVEGLEPYTLFNLSVTPYTYWGKGQKTSLSFRAPESVPSAPENPRIFILSSGRYTKKNEVVVEFRWNKPKHENGVLTKFEIFYHISKQSGTNRSTEDWMSASVIPPVMSFQLEAVSPEYTVAFQVRVFTSKGPGPFSDIVMSKTSEIKPCPYLISLLGNKIVFLDMDQNQVLWTFSLEGDVSTVGYTTDDEMGYFAQGDTLFLLNLRNHSSSKLFQDALVSDIRVIAVDWIARHLYFALKASQNGTQIFNVDLEHKVKSPREVKTCKAHTTIISFSIYPLLSRLYWTEVSDLGHQMFYCNISNHTSQHVLQPKASNQHGRSQCSCNVTESELSGAMTVDTSDPDRPWIYFTKRQEIWAMDLEGCQCWKVIMVPTIPGKRIISLTVDGEFIYWIMKTKDDAQIYQAKKGSGAILSQVKASRSKHILAYSSALQPFPDKAYLSLASDMVEATILYATNTSLTLKLPPVKTNLTWHGITHPTSTYLIYYMEANRANSSDRRHKMLESQENVARIEGLQPFSMYMIQIAVKNYYSEPLEHLPLGKEIQGQTKSGVPGAVCHINATVLSDTSLHVFWTESHKPNGPKESVRYQLVMSYLAPIPETPLRQGEFPSAKLSLLITKLSGGQLYVMKVLACHPEEMWCTESHPVSVNMFDTPEKPSALVPENTSLQLDWKARSNVNLTGFWFELQKWKYNEFYHVKASCSQGPVYVCNITDLQPYTSYNIRVVVVYTTGENSSSIPESFKTKAGVPSKPGIPKLLEGSKNSIQWEKAEDNGSRLMYYTLEVRKGISNDSQNQSSRWKVVFNGSCSSICTWRSKNLKGTFQFRAVAANEIGLGEYSEISEDITLVEDGVWITETSFILTIIVGIFLVATVPLTFVWHRSLKSHKASKEGLSVLNDNDKELAELRGLAAGVGLANACYAVHTVPTQEEIENLPAFPREKLSLRLLLGSGAFGEVYEGTAIDILGVGSGEIKVAVKTLKKGSTDQEKIEFLKEAHLMSKFNHPNILKQLGVCLLGEPQYIILELMEGGDLLSYLRKARGTTFHGPSLTLLDLVELCVDISKGCVYLEQMHFIHRDLAARNCLVSVKDYTSPRVVKIGDFGLAREIYKNDYYRKRGEGLLPVRWMAPENLMDGIFTSQSDVWSFGILVWEILTLGHQPYPAHSNLDVLNYVQAGGRLEPPRNCPDDLWNLMSQCWAQEPDQRPTFHNIQNQLQLFRNVFLNNVSHCGEAAPTGGVINKGFEGEDDEMVTLNSDDTMPVALMETKNQEGLNYMVLATKCSQGEGSYEGPLGPKELGSCDLKKDKKQPQADKDFCQEPQVAYGSPGLSEGLNYACLAHSEHGDVSE
  
Inhibitor
Name:
BDBM50384725
Synonyms:
CHEMBL2037209
Type:
Small organic molecule
Emp. Form.:
C31H23F3N6O2
Mol. Mass.:
568.5485
SMILES:
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Structure:
Search PDB for entries with ligand similarity: