Reaction Details
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cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50581187
Substrate
n/a
Meas. Tech.
ChEMBL_2150073 (CHEMBL5034535)
IC50
2.0±n/a nM
Citation
Armani, E; Rizzi, A; Capaldi, C; De Fanti, R; Delcanale, M; Villetti, G; Marchini, G; Pisano, AR; Pitozzi, V; Pittelli, MG; Trevisani, M; Salvadori, M; Cenacchi, V; Puccini, P; Amadei, F; Pappani, A; Civelli, M; Patacchini, R; Baker-Glenn, CAG; Van de Poël, H; Blackaby, WP; Nash, K; Amari, G Discovery of M J Med Chem 64:9100-9119 (2021) [PubMed] Article More Info.:
Target
Name:
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Synonyms:
3',5'-cyclic phosphodiesterase | DPDE4 | Isoform PDE4B1 | PDE32 | PDE4B | PDE4B1 | PDE4B_HUMAN | Phosphodiesterase 4B | Phosphodiesterase 4B (PDE4B) | Phosphodiesterase 4B (PDE4B1) | Phosphodiesterase Type 4 (PDE4B)
Type:
Protein
Mol. Mass.:
83318.87
Organism:
Homo sapiens (Human)
Description:
Q07343
Residue:
736
Sequence:
MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSAGLVLHATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAASQPPVSRVNPQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDEQNRDCQGLMEKFQFELTLDEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLGETDIDIATEDKSPVDT
Inhibitor
Name:
BDBM50581187
Synonyms:
CHEMBL5077161
Type:
Small organic molecule
Emp. Form.:
C37H37Cl2N3O7
Mol. Mass.:
706.612
SMILES:
COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:33.34,(3.32,-53.1,;4.65,-53.87,;5.98,-53.1,;7.32,-53.87,;8.66,-53.1,;8.65,-51.55,;7.31,-50.79,;5.99,-51.56,;4.65,-50.79,;4.65,-49.25,;9.98,-50.78,;11.32,-51.54,;12.65,-50.77,;12.64,-49.24,;11.3,-48.48,;13.96,-48.46,;15.31,-49.22,;16.64,-48.45,;15.31,-50.76,;13.98,-51.54,;13.98,-53.08,;9.98,-49.24,;8.64,-48.47,;7.31,-49.25,;8.63,-46.93,;9.97,-46.16,;9.96,-44.62,;8.62,-43.85,;8.64,-42.32,;9.99,-41.56,;11.31,-42.35,;12.66,-41.6,;11.29,-43.89,;12.61,-44.68,;12.59,-46.22,;13.9,-47.01,;15.25,-46.26,;15.28,-44.72,;13.95,-43.92,;13.13,-45.36,;14.7,-45.67,;10.01,-40.02,;11.36,-39.28,;11.38,-37.74,;10.05,-36.95,;8.71,-37.71,;8.69,-39.25,;7.29,-44.64,;7.3,-46.17,)|
Structure:
