Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B [122-736]
Ligand
BDBM577123
Substrate
n/a
IC50
1.000±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 
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:
BDBM577123
Synonyms:
10-(4-Chloro-5-fluoro-2-methylphenyl)-8-cyclopropyl-3,4,7,8-tetrahydro-2H-pyrano[2',3':4,5]pyrrolo[1,2-a]pyrazin-9(6H)-one | US11472805, Example 29
Type:
Small organic molecule
Emp. Form.:
C20H20ClFN2O2
Mol. Mass.:
374.836
SMILES:
Cc1cc(Cl)c(F)cc1-c1c2OCCCc2n2CCN(C3CC3)C(=O)c12 |(-3.15,.66,;-1.65,.98,;-1.17,2.44,;.35,2.81,;.83,4.28,;1.37,1.62,;2.87,1.94,;.89,.15,;-.62,-.17,;-1.09,-1.63,;-2.56,-2.11,;-3.89,-1.34,;-5.22,-2.11,;-5.22,-3.65,;-3.89,-4.42,;-2.56,-3.65,;-1.09,-4.12,;-.47,-5.53,;1.07,-5.69,;1.97,-4.45,;3.5,-4.61,;4.72,-5.55,;4.93,-4.02,;1.34,-3.04,;2.25,-1.79,;-.19,-2.88,)|
Structure:
Search PDB for entries with ligand similarity: