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Target
LIM domain kinase 1
Ligand
BDBM50193995
Substrate
n/a
Meas. Tech.
ChEMBL_774341 (CHEMBL1908558)
Kd
>10000±n/a nM
Citation
 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol 29:1046-51 (2011) [PubMed]  Article 
Target
Name:
LIM domain kinase 1
Synonyms:
LIMK | LIMK-1 | LIMK1 | LIMK1_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
72591.81
Organism:
Homo sapiens (Human)
Description:
gi_4505001
Residue:
647
Sequence:
MRLTLLCCTWREERMGEEGSELPVCASCGQRIYDGQYLQALNADWHADCFRCCDCSASLSHQYYEKDGQLFCKKDYWARYGESCHGCSEQITKGLVMVAGELKYHPECFICLTCGTFIGDGDTYTLVEHSKLYCGHCYYQTVVTPVIEQILPDSPGSHLPHTVTLVSIPASSHGKRGLSVSIDPPHGPPGCGTEHSHTVRVQGVDPGCMSPDVKNSIHVGDRILEINGTPIRNVPLDEIDLLIQETSRLLQLTLEHDPHDTLGHGLGPETSPLSSPAYTPSGEAGSSARQKPVLRSCSIDRSPGAGSLGSPASQRKDLGRSESLRVVCRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRDLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLPAHPEVPD
  
Inhibitor
Name:
BDBM50193995
Synonyms:
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | 3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | CHEMBL221959 | CP-690550 | TOFACITINIB CITRATE | Tofacitinib | Tofacitinib citrate (1) | US10112907, Example 00035 | US10399979, Compound Tofacitinib | US10766894, Compound TABLE 1.20 | US10875847, Compound Tofacitinib | US11078206, Example Tofacitinib | US11203595, TABLE 1.20 | US11339167, Example Tofacitinib
Type:
Small organic molecule
Emp. Form.:
C16H20N6O
Mol. Mass.:
312.3696
SMILES:
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Structure:
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