Reaction Details
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Calcium/calmodulin-dependent protein kinase kinase 1
Ligand
BDBM50559222
Substrate
n/a
Meas. Tech.
ChEMBL_2068537 (CHEMBL4723790)
IC50
5200±n/a nM
Citation
Picado, A; Chaikuad, A; Wells, CI; Shrestha, S; Zuercher, WJ; Pickett, JE; Kwarcinski, FE; Sinha, P; de Silva, CS; Zutshi, R; Liu, S; Kannan, N; Knapp, S; Drewry, DH; Willson, TM A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J Med Chem 63:14626-14646 (2020) [PubMed] Article More Info.:
Target
Name:
Calcium/calmodulin-dependent protein kinase kinase 1
Synonyms:
CAMKK1 | CAMKKA | CaM-kinase kinase alpha | KKCC1_HUMAN
Type:
PROTEIN
Mol. Mass.:
55727.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774623
Residue:
505
Sequence:
MEGGPAVCCQDPRAELVERVAAIDVTHLEEADGGPEPTRNGVDPPPRARAASVIPGSTSRLLPARPSLSARKLSLQERPAGSYLEAQAGPYATGPASHISPRAWRRPTIESHHVAISDAEDCVQLNQYKLQSEIGKGAYGVVRLAYNESEDRHYAMKVLSKKKLLKQYGFPRRPPPRGSQAAQGGPAKQLLPLERVYQEIAILKKLDHVNVVKLIEVLDDPAEDNLYLVFDLLRKGPVMEVPCDKPFSEEQARLYLRDVILGLEYLHCQKIVHRDIKPSNLLLGDDGHVKIADFGVSNQFEGNDAQLSSTAGTPAFMAPEAISDSGQSFSGKALDVWATGVTLYCFVYGKCPFIDDFILALHRKIKNEPVVFPEEPEISEELKDLILKMLDKNPETRIGVPDIKLHPWVTKNGEEPLPSEEEHCSVVEVTEEEVKNSVRLIPSWTTVILVKSMLRKRSFGNPFEPQARREERSMSAPGNLLVKEGFGEGGKSPELPGVQEDEAAS
Inhibitor
Name:
BDBM50559222
Synonyms:
CHEMBL4752776
Type:
Small organic molecule
Emp. Form.:
C16H10N2O2S3
Mol. Mass.:
358.458
SMILES:
OC(=O)CSc1ncnc2cc(sc12)-c1cc2ccccc2s1
Structure:
