Ki Summary

Reaction Details

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Target

ALK tyrosine kinase receptor [L1196M]

Ligand

BDBM175259

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Inhibition Assay

IC50

424±0 nM

Citation

Carry, J; Chatreaux, F; Deprets, S; Duclos, O; Leroy, V; Mallart, S; Melon-Manguer, D; Mendez-Perez, M; Vergne, F Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof US Patent US9115140 Publication Date 8/25/2015

More Info.:

Get all data from this article, Assay Method

ALK tyrosine kinase receptor [L1196M]

Name:

ALK tyrosine kinase receptor [L1196M]

Synonyms:

Type:

n/a

Mol. Mass.:

176471.13

Organism:

Homo sapiens (Human)

Description:

Q9UM73[L1196M]

Residue:

1620

Sequence:

MGAIGLLWLLPLLLSTAAVGSGMGTGQRAGSPAAGPPLQPREPLSYSRLQRKSLAVDFVV
PSLFRVYARDLLLPPSSSELKAGRPEARGSLALDCAPLLRLLGPAPGVSWTAGSPAPAEA
RTLSRVLKGGSVRKLRRAKQLVLELGEEAILEGCVGPPGEAAVGLLQFNLSELFSWWIRQ
GEGRLRIRLMPEKKASEVGREGRLSAAIRASQPRLLFQIFGTGHSSLESPTNMPSPSPDY
FTWNLTWIMKDSFPFLSHRSRYGLECSFDFPCELEYSPPLHDLRNQSWSWRRIPSEEASQ
MDLLDGPGAERSKEMPRGSFLLLNTSADSKHTILSPWMRSSSEHCTLAVSVHRHLQPSGR
YIAQLLPHNEAAREILLMPTPGKHGWTVLQGRIGRPDNPFRVALEYISSGNRSLSAVDFF
ALKNCSEGTSPGSKMALQSSFTCWNGTVLQLGQACDFHQDCAQGEDESQMCRKLPVGFYC
NFEDGFCGWTQGTLSPHTPQWQVRTLKDARFQDHQDHALLLSTTDVPASESATVTSATFP
APIKSSPCELRMSWLIRGVLRGNVSLVLVENKTGKEQGRMVWHVAAYEGLSLWQWMVLPL
LDVSDRFWLQMVAWWGQGSRAIVAFDNISISLDCYLTISGEDKILQNTAPKSRNLFERNP
NKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPL
KGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGE
DACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLII
AAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGA
TGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFIS
PLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVS
CIVSPTPEPHLPLSLILSVVTSALVAALVLAFSGIMIVYRRKHQELQAMQMELQSPEYKL
SKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPN
DPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMA
GGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCP
GPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLW
EIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIIL
ERIEYCTQDPDVINTALPIEYGPLVEEEEKVPVRPKDPEGVPPLLVSQQAKREEERSPAA
PPPLPTTSSGKAAKKPTAAEISVRVPRGPAVEGGHVNMAFSQSNPPSELHKVHGSRNKPT
SLWNPTYGSWFTEKPTKKNNPIAKKEPHDRGNLGLEGSCTVPPNVATGRLPGASLLLEPS
SLTANMKEVPLFRLRHFPCGNVNYGYQQQGLPLEAATAPGAGHYEDTILKSKNSMNQPGP

BDBM175259

n/a

Name

BDBM175259

Synonyms:

US9115140, I-180

Type

Small organic molecule

Emp. Form.

C28H29N5O4S

Mol. Mass.

531.626

SMILES

COc1ccccc1-c1c(sc2cnc(Nc3cc4CCCC(=O)N(C)c4cc3OC(C)C)nc12)C(N)=O |(3.49,-4.12,;3.01,-5.58,;4.04,-6.72,;5.55,-6.4,;6.58,-7.55,;6.11,-9.01,;4.6,-9.33,;3.57,-8.19,;2.06,-8.51,;1.44,-9.92,;-.1,-9.76,;-.42,-8.25,;-1.75,-7.48,;-1.75,-5.94,;-.42,-5.17,;-.42,-3.63,;.92,-2.86,;2.25,-3.63,;3.59,-2.86,;4.79,-3.82,;6.29,-3.48,;6.96,-2.09,;6.29,-.7,;7.25,.5,;4.79,-.36,;4.45,1.14,;3.59,-1.32,;2.25,-.55,;.92,-1.32,;-.42,-.55,;-1.75,-1.32,;-1.75,-2.86,;-3.08,-.55,;.92,-5.94,;.92,-7.48,;2.21,-11.25,;3.75,-11.25,;1.44,-12.58,)|

Structure