Reaction Details
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cGMP-dependent protein kinase 1
Ligand
BDBM50506948
Substrate
n/a
Meas. Tech.
ChEMBL_1828837 (CHEMBL4328711)
IC50
1.000000±n/a nM
Citation
Hobson, AD; Judge, RA; Aguirre, AL; Brown, BS; Cui, Y; Ding, P; Dominguez, E; DiGiammarino, E; Egan, DA; Freiberg, GM; Gopalakrishnan, SM; Harris, CM; Honore, MP; Kage, KL; Kapecki, NJ; Ling, C; Ma, J; Mack, H; Mamo, M; Maurus, S; McRae, B; Moore, NS; Mueller, BK; Mueller, R; Namovic, MT; Patel, K; Pratt, SD; Putman, CB; Queeney, KL; Sarris, KK; Schaffter, LM; Stoll, V; Vasudevan, A; Wang, L; Wang, L; Wirthl, W; Yach, K Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem 61:11074-11100 (2018) [PubMed] Article More Info.:
Target
Name:
cGMP-dependent protein kinase 1
Synonyms:
GMP-dependent protein kinase I | KGP1_HUMAN | PRKG1 | PRKG1B | PRKGR1A | PRKGR1B | Protein Kinase G | cGMP-dependent protein kinase | cGMP-dependent protein kinase 1 | cGMP-dependent protein kinase 1 beta
Type:
Protein
Mol. Mass.:
76358.04
Organism:
Homo sapiens (Human)
Description:
Q13976
Residue:
671
Sequence:
MSELEEDFAKILMLKEERIKELEKRLSEKEEEIQELKRKLHKCQSVLPVPSTHIGPRTTRAQGISAEPQTYRSFHDLRQAFRKFTKSERSKDLIKEAILDNDFMKNLELSQIQEIVDCMYPVEYGKDSCIIKEGDVGSLVYVMEDGKVEVTKEGVKLCTMGPGKVFGELAILYNCTRTATVKTLVNVKLWAIDRQCFQTIMMRTGLIKHTEYMEFLKSVPTFQSLPEEILSKLADVLEETHYENGEYIIRQGARGDTFFIISKGTVNVTREDSPSEDPVFLRTLGKGDWFGEKALQGEDVRTANVIAAEAVTCLVIDRDSFKHLIGGLDDVSNKAYEDAEAKAKYEAEAAFFANLKLSDFNIIDTLGVGGFGRVELVQLKSEESKTFAMKILKKRHIVDTRQQEHIRSEKQIMQGAHSDFIVRLYRTFKDSKYLYMLMEACLGGELWTILRDRGSFEDSTTRFYTACVVEAFAYLHSKGIIYRDLKPENLILDHRGYAKLVDFGFAKKIGFGKKTWTFCGTPEYVAPEIILNKGHDISADYWSLGILMYELLTGSPPFSGPDPMKTYNIILRGIDMIEFPKKIAKNAANLIKKLCRDNPSERLGNLKNGVKDIQKHKWFEGFNWEGLRKGTLTPPIIPSVASPTDTSNFDSFPEDNDEPPPDDNSGWDIDF
Inhibitor
Name:
BDBM50506948
Synonyms:
CHEMBL4448806
Type:
Small organic molecule
Emp. Form.:
C21H20N2O2
Mol. Mass.:
332.3957
SMILES:
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Structure:
