Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase D1
Ligand
BDBM50502745
Substrate
n/a
Meas. Tech.
ChEMBL_1808275 (CHEMBL4307634)
Ki
<0.200000±n/a nM
Citation
 Feng, JA; Lee, P; Alaoui, MH; Barrett, K; Castanedo, G; Godemann, R; McEwan, P; Wang, X; Wu, P; Zhang, Y; Harris, SF; Staben, ST Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). ACS Med Chem Lett 10:1260-1265 (2019) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase D1
Synonyms:
KPCD1_HUMAN | PKD | PKD1 | PRKCM | PRKD1 | Protein kinase C mu | Protein kinase C mu type | Protein kinase C mu type (PRKD1) | Protein kinase C, PKC; classical/novel | Protein kinase D | Protein kinase D (PRKD1) | Serine/threonine-protein kinase D1 (PKD1) | nPKC-D1 | nPKC-mu
Type:
Serine/threonine-protein kinase
Mol. Mass.:
101705.07
Organism:
Homo sapiens (Human)
Description:
gi_115529463
Residue:
912
Sequence:
MSAPPVLRPPSPLLPVAAAAAAAAAALVPGSGPGPAPFLAPVAAPVGGISFHLQIGLSREPVLLLQDSSGDYSLAHVREMACSIVDQKFPECGFYGMYDKILLFRHDPTSENILQLVKAASDIQEGDLIEVVLSASATFEDFQIRPHALFVHSYRAPAFCDHCGEMLWGLVRQGLKCEGCGLNYHKRCAFKIPNNCSGVRRRRLSNVSLTGVSTIRTSSAELSTSAPDEPLLQKSPSESFIGREKRSNSQSYIGRPIHLDKILMSKVKVPHTFVIHSYTRPTVCQYCKKLLKGLFRQGLQCKDCRFNCHKRCAPKVPNNCLGEVTINGDLLSPGAESDVVMEEGSDDNDSERNSGLMDDMEEAMVQDAEMAMAECQNDSGEMQDPDPDHEDANRTISPSTSNNIPLMRVVQSVKHTKRKSSTVMKEGWMVHYTSKDTLRKRHYWRLDSKCITLFQNDTGSRYYKEIPLSEILSLEPVKTSALIPNGANPHCFEITTANVVYYVGENVVNPSSPSPNNSVLTSGVGADVARMWEIAIQHALMPVIPKGSSVGTGTNLHRDISVSISVSNCQIQENVDISTVYQIFPDEVLGSGQFGIVYGGKHRKTGRDVAIKIIDKLRFPTKQESQLRNEVAILQNLHHPGVVNLECMFETPERVFVVMEKLHGDMLEMILSSEKGRLPEHITKFLITQILVALRHLHFKNIVHCDLKPENVLLASADPFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLRNKGYNRSLDMWSVGVIIYVSLSGTFPFNEDEDIHDQIQNAAFMYPPNPWKEISHEAIDLINNLLQVKMRKRYSVDKTLSHPWLQDYQTWLDLRELECKIGERYITHESDDLRWEKYAGEQGLQYPTHLINPSASHSDTPETEETEMKALGERVSIL
  
Inhibitor
Name:
BDBM50502745
Synonyms:
CHEMBL4444206
Type:
Small organic molecule
Emp. Form.:
C25H25N5O3
Mol. Mass.:
443.4977
SMILES:
CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)c1ncc(C)o1)C(N)=O |(28.83,-24.05,;30.36,-23.87,;30.97,-22.45,;30.05,-21.22,;32.5,-22.27,;33.25,-20.94,;34.75,-21.24,;34.93,-22.75,;36.3,-23.44,;37.43,-22.39,;38.89,-22.84,;39.24,-24.35,;38.11,-25.4,;36.64,-24.94,;35.67,-26.13,;34.13,-26.12,;33.18,-24.9,;34.81,-24.68,;33.54,-23.39,;40.02,-21.79,;41.15,-20.74,;42.28,-19.69,;41.49,-18.39,;43.1,-18.38,;43.57,-20.51,;43.67,-22.04,;45.15,-22.42,;45.97,-21.13,;47.51,-21.04,;45,-19.95,;32.6,-19.54,;33.49,-18.28,;31.07,-19.4,)|
Structure:
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