Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase D1
Ligand
BDBM50502742
Substrate
n/a
Meas. Tech.
ChEMBL_1808275 (CHEMBL4307634)
Ki
65±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
More Info.:
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:
BDBM50502742
Synonyms:
CHEMBL3978002
Type:
Small organic molecule
Emp. Form.:
C22H20N4O3
Mol. Mass.:
388.4192
SMILES:
[H]C12CC([H])(C1)n1cc(nc1-c1cc(ccc21)C#C[C@](C)(O)c1cc(C)on1)C(N)=O |r,wD:19.23,(1.78,4.35,;3.05,3.48,;4.57,3.77,;4.85,2.25,;6.13,1.38,;3.34,1.97,;5.31,.78,;5.08,-.74,;4.21,-2.01,;2.87,-2.78,;1.34,-2.9,;-.1,-2.33,;-1.14,-1.2,;-1.6,.27,;-1.36,1.79,;-.5,3.06,;.84,3.83,;-3.13,.15,;-4.67,.04,;-6.2,-.07,;-7.74,-.19,;-6.32,1.46,;-6.09,-1.61,;-4.78,-2.42,;-5.15,-3.92,;-4.15,-5.09,;-6.68,-4.03,;-7.26,-2.6,;5.25,-3.14,;4.8,-4.61,;6.76,-2.8,)|