Reaction Details
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cAMP-specific 3',5'-cyclic phosphodiesterase 4B [122-736]
Ligand
BDBM577101
Substrate
n/a
IC50
1.78±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:
BDBM577101
Synonyms:
4-(8-Cyclopropyl-9-oxo-3,4,6,7,8,9-hexahydro-2H-pyrano[2′,3′:4,5]pyrrolo[1,2-a]pyrazin-10-yl)-2-fluoro-5-methylbenzonitrile | US11472805, Example 16
Type:
Small organic molecule
Emp. Form.:
C21H20FN3O2
Mol. Mass.:
365.4008
SMILES:
Cc1cc(C#N)c(F)cc1-c1c2OCCCc2n2CCN(C3CC3)C(=O)c12 |(16.64,-5.82,;18.13,-5.42,;18.53,-3.94,;20.03,-3.48,;20.43,-2,;20.83,-.51,;21.1,-4.63,;22.59,-4.23,;20.7,-6.11,;19.22,-6.51,;18.82,-8,;17.35,-8.48,;16.02,-7.71,;14.69,-8.48,;14.69,-10.02,;16.02,-10.79,;17.35,-10.02,;18.82,-10.49,;19.45,-11.9,;20.98,-12.06,;21.88,-10.81,;23.37,-11.21,;24.46,-12.3,;24.86,-10.81,;21.26,-9.41,;22.03,-8.07,;19.72,-9.25,)|
Structure:
