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Target
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret
Ligand
BDBM50575350
Substrate
n/a
Meas. Tech.
ChEMBL_2125026 (CHEMBL4834259)
IC50
44±n/a nM
Citation
 Mathison, CJN; Yang, Y; Nelson, J; Huang, Z; Jiang, J; Chianelli, D; Rucker, PV; Roland, J; Xie, YF; Epple, R; Bursulaya, B; Lee, C; Gao, MY; Shaffer, J; Briones, S; Sarkisova, Y; Galkin, A; Li, L; Li, N; Li, C; Hua, S; Kasibhatla, S; Kinyamu-Akunda, J; Kikkawa, R; Molteni, V; Tellew, JE Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- ACS Med Chem Lett 12:1912-1919 (2021) [PubMed]  Article 
Target
Name:
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret
Synonyms:
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1972971
Components:
This complex has 2 components.
Component 1
Name:
Proto-oncogene tyrosine-protein kinase receptor Ret
Synonyms:
CDHF12 | CDHR16 | Cadherin family member 12 | PTC | Proto-oncogene c-Ret | RET | RET51 | RET_HUMAN | Tyrosine-protein kinase Ret (RET)
Type:
Protein
Mol. Mass.:
124318.29
Organism:
Homo sapiens (Human)
Description:
P07949
Residue:
1114
Sequence:
MAKATSGAAGLRLLLLLLLPLLGKVALGLYFSRDAYWEKLYVDQAAGTPLLYVHALRDAPEEVPSFRLGQHLYGTYRTRLHENNWICIQEDTGLLYLNRSLDHSSWEKLSVRNRGFPLLTVYLKVFLSPTSLREGECQWPGCARVYFSFFNTSFPACSSLKPRELCFPETRPSFRIRENRPPGTFHQFRLLPVQFLCPNISVAYRLLEGEGLPFRCAPDSLEVSTRWALDREQREKYELVAVCTVHAGAREEVVMVPFPVTVYDEDDSAPTFPAGVDTASAVVEFKRKEDTVVATLRVFDADVVPASGELVRRYTSTLLPGDTWAQQTFRVEHWPNETSVQANGSFVRATVHDYRLVLNRNLSISENRTMQLAVLVNDSDFQGPGAGVLLLHFNVSVLPVSLHLPSTYSLSVSRRARRFAQIGKVCVENCQAFSGINVQYKLHSSGANCSTLGVVTSAEDTSGILFVNDTKALRRPKCAELHYMVVATDQQTSRQAQAQLLVTVEGSYVAEEAGCPLSCAVSKRRLECEECGGLGSPTGRCEWRQGDGKGITRNFSTCSPSTKTCPDGHCDVVETQDINICPQDCLRGSIVGGHEPGEPRGIKAGYGTCNCFPEEEKCFCEPEDIQDPLCDELCRTVIAAAVLFSFIVSVLLSAFCIHCYHKFAHKPPISSAEMTFRRPAQAFPVSYSSSGARRPSLDSMENQVSVDAFKILEDPKWEFPRKNLVLGKTLGEGEFGKVVKATAFHLKGRAGYTTVAVKMLKENASPSELRDLLSEFNVLKQVNHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGPGYLGSGGSRNSSSLDHPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDSYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRRDYLDLAASTPSDSLIYDDGLSEEETPLVDCNNAPLPRALPSTWIENKLYGMSDPNWPGESPVPLTRADGTNTGFPRYPNDSVYANWMLSPSAAKLMDTFDS
  
Component 2
Name:
Kinesin-1 heavy chain
Synonyms:
KIF5B | KINH_HUMAN | KNS | KNS1
Type:
PROTEIN
Mol. Mass.:
109682.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_770435
Residue:
963
Sequence:
MADLAECNIKVMCRFRPLNESEVNRGDKYIAKFQGEDTVVIASKPYAFDRVFQSSTSQEQVYNDCAKKIVKDVLEGYNGTIFAYGQTSSGKTHTMEGKLHDPEGMGIIPRIVQDIFNYIYSMDENLEFHIKVSYFEIYLDKIRDLLDVSKTNLSVHEDKNRVPYVKGCTERFVCSPDEVMDTIDEGKSNRHVAVTNMNEHSSRSHSIFLINVKQENTQTEQKLSGKLYLVDLAGSEKVSKTGAEGAVLDEAKNINKSLSALGNVISALAEGSTYVPYRDSKMTRILQDSLGGNCRTTIVICCSPSSYNESETKSTLLFGQRAKTIKNTVCVNVELTAEQWKKKYEKEKEKNKILRNTIQWLENELNRWRNGETVPIDEQFDKEKANLEAFTVDKDITLTNDKPATAIGVIGNFTDAERRKCEEEIAKLYKQLDDKDEEINQQSQLVEKLKTQMLDQEELLASTRRDQDNMQAELNRLQAENDASKEEVKEVLQALEELAVNYDQKSQEVEDKTKEYELLSDELNQKSATLASIDAELQKLKEMTNHQKKRAAEMMASLLKDLAEIGIAVGNNDVKQPEGTGMIDEEFTVARLYISKMKSEVKTMVKRCKQLESTQTESNKKMEENEKELAACQLRISQHEAKIKSLTEYLQNVEQKKRQLEESVDALSEELVQLRAQEKVHEMEKEHLNKVQTANEVKQAVEQQIQSHRETHQKQISSLRDEVEAKAKLITDLQDQNQKMMLEQERLRVEHEKLKATDQEKSRKLHELTVMQDRREQARQDLKGLEETVAKELQTLHNLRKLFVQDLATRVKKSAEIDSDDTGGSAAQKQKISFLENNLEQLTKVHKQLVRDNADLRCELPKLEKRLRATAERVKALESALKEAKENASRDRKRYQQEVDRIKEAVRSKNMARRGHSAQIAKPIRPGQHPAASPTHPSAIRGGGAFVQNSQPVAVRGGGGKQV
  
Inhibitor
Name:
BDBM50575350
Synonyms:
CHEMBL4877264
Type:
Small organic molecule
Emp. Form.:
C22H26ClN7O
Mol. Mass.:
439.941
SMILES:
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
Structure:
Search PDB for entries with ligand similarity: