Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase D1
Ligand
BDBM50502741
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:
BDBM50502741
Synonyms:
CHEMBL4517096
Type:
Small organic molecule
Emp. Form.:
C26H26N4O2
Mol. Mass.:
426.5102
SMILES:
Cc1cnc(o1)C(C)(C)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C3CC3)-c2c1 |(46.46,-35.32,;44.92,-35.41,;44.1,-36.7,;42.62,-36.32,;42.52,-34.79,;43.95,-34.23,;41.23,-33.97,;40.44,-32.67,;42.05,-32.66,;40.1,-35.02,;38.97,-36.07,;37.85,-37.12,;38.19,-38.63,;37.06,-39.68,;35.59,-39.22,;34.62,-40.41,;33.08,-40.4,;32.13,-39.18,;33.76,-38.96,;32.49,-37.68,;33.88,-37.04,;33.7,-35.52,;32.2,-35.22,;31.55,-33.82,;32.44,-32.56,;30.02,-33.68,;31.45,-36.55,;29.92,-36.74,;28.51,-36.13,;28.69,-37.66,;35.25,-37.72,;36.38,-36.67,)|
Structure:
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