Reaction Details Report a problem with these data
Target
LIM domain kinase 1
Ligand
BDBM50299586
Substrate
n/a
Meas. Tech.
ChEMBL_2199834 (CHEMBL5112350)
IC50
21±n/a nM
Citation
 Collins, R; Lee, H; Jones, DH; Elkins, JM; Gillespie, JA; Thomas, C; Baldwin, AG; Jones, K; Waters, L; Paine, M; Atack, JR; Ward, SE; Grubisha, O; Foley, DW Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity. J Med Chem 65:13705-13713 (2022) [PubMed] 
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:
BDBM50299586
Synonyms:
(S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamido)phenyl dimethylcarbamate | CHEMBL570116
Type:
Small organic molecule
Emp. Form.:
C22H27N7O3
Mol. Mass.:
437.4949
SMILES:
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
Structure:
Search PDB for entries with ligand similarity: