Reaction Details
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cAMP-specific 3',5'-cyclic phosphodiesterase 4B [122-736]
Ligand
BDBM577100
Substrate
n/a
IC50
6.87±n/a nM
Citation
Chappie, TA; Patel, NC; Verhoest, PR; Helal, CJ; Sciabola, S; LaChapelle, EA; Wager, TT; Chandrasekaran, RY Tricyclic compounds and their use as phosphodiesterase inhibitors US Patent US11472805 Publication Date 10/18/2022 More Info.:
Target
Name:
cAMP-specific 3',5'-cyclic phosphodiesterase 4B [122-736]
Synonyms:
DPDE4 | PDE4B | PDE4B_HUMAN | cAMP-specific 3',5'-cyclic phosphodiesterase 4B1 (PDE4B)(122-736)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
70260.82
Organism:
Homo sapiens (Human)
Description:
aa 122 to 736
Residue:
615
Sequence:
ATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAASQPPVSRVNPQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDEQNRDCQGLMEKFQFELTLDEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLGETDIDIATEDKSPVDT
Inhibitor
Name:
BDBM577100
Synonyms:
10-(4-Chloro-2-fluoro-5-methoxyphenyl)-8-cyclopropyl-7,8-dihydropyrido[2′,3′: 4,5]pyrrolo[1,2-a]pyrazin-9(6H)-one | US11472805, Example 15
Type:
Small organic molecule
Emp. Form.:
C20H17ClFN3O2
Mol. Mass.:
385.819
SMILES:
COc1cc(-c2c3C(=O)N(CCn3c3cccnc23)C2CC2)c(F)cc1Cl |(-17.56,7.72,;-18.65,8.81,;-20.14,8.41,;-20.54,6.92,;-22.03,6.52,;-22.43,5.03,;-21.52,3.79,;-19.99,3.63,;-19.22,4.96,;-19.36,2.22,;-20.27,.97,;-21.8,1.13,;-22.43,2.54,;-23.89,3.02,;-25.22,2.25,;-26.56,3.02,;-26.56,4.56,;-25.22,5.33,;-23.89,4.56,;-17.87,1.82,;-16.79,.73,;-16.39,2.22,;-23.12,7.61,;-24.6,7.21,;-22.72,9.1,;-21.23,9.5,;-20.83,10.98,)|
Structure:
