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TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase B
LigandBDBM50300953
Substrate/Competitorn/a
Meas. Tech.ChEMBL_597981
IC50>2000±n/a nM
Citation Hughes, ROWalker, JKRogier, DJHeasley, SEBlevis-Bal, RMBenson, AGJacobsen, EJCubbage, JWFobian, YMOwen, DRFreskos, JNMolyneaux, JMBrown, DLAcker, BAMaddux, TMTollefson, MBMoon, JBMischke, BVRumsey, JMZheng, YMacInnes, ABond, BRYu, Y Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one. Bioorg Med Chem Lett19:5209-13 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Name:Phosphodiesterase 3 and 5 (PDE3 and PDE5)
Synonyms:CGI-PDE B | CGIP1 | CGIPDE1 | Cyclic GMP-inhibited phosphodiesterase B | Phosphodiesterase 3B | Phosphodiesterase 3B (PDE3B) | Phosphodiesterase Type 3 (PDE3B) | cGMP-inhibited 3,5-cyclic phosphodiesterase B
Type:Enzyme
Mol. Mass.:124318.95
Organism:Homo sapiens (Human)
Description:PDE3B was generated from the full-length recombinant human clone transfected into Sf9 cells.
Residue:1112
Sequence:
MRRDERDAKAMRSLQPPDGAGSPPESLRNGYVKSCVSPLRQDPPRGFFFHLCRFCNVELR
PPPASPQQPRRCSPFCRARLSLGALAAFVLALLLGAEPESWAAGAAWLRTLLSVCSHSLS
PLFSIACAFFFLTCFLTRTKRGPGPGRSCGSWWLLALPACCYLGDFLVWQWWSWPWGDGD
AGSAAPHTPPEAAAGRLLLVLSCVGLLLTLAHPLRLRHCVLVLLLASFVWWVSFTSLGSL
PSALRPLLSGLVGGAGCLLALGLDHFFQIREAPLHPRLSSAAEEKVPVIRPRRRSSCVSL
GETAASYYGSCKIFRRPSLPCISREQMILWDWDLKQWYKPHYQNSGGGNGVDLSVLNEAR
NMVSDLLTDPSLPPQVISSLRSISSLMGAFSGSCRPKINPLTPFPGFYPCSEIEDPAEKG
DRKLNKGLNRNSLPTPQLRRSSGTSGLLPVEQSSRWDRNNGKRPHQEFGISSQGCYLNGP
FNSNLLTIPKQRSSSVSLTHHVGLRRAGVLSSLSPVNSSNHGPVSTGSLTNRSPIEFPDT
ADFLNKPSVILQRSLGNAPNTPDFYQQLRNSDSNLCNSCGHQMLKYVSTSESDGTDCCSG
KSGEEENIFSKESFKLMETQQEEETEKKDSRKLFQEGDKWLTEEAQSEQQTNIEQEVSLD
LILVEEYDSLIEKMSNWNFPIFELVEKMGEKSGRILSQVMYTLFQDTGLLEIFKIPTQQF
MNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQIHNGCGTGNETDSDGRIN
HGRIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNAFLVATNAPQ
AVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFKRFRFLVIEAILATDLKKHFD
FLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPAKVRDLHLKWTEGIVNEFY
EQGDEEANLGLPISPFMDRSSPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWLEAEEDN
DTESGDDEDGEELDTEDEEMENNLNPKPPRRKSRRRIFCQLMHHLTENHKIWKEIVEEEE
KCKADGNKLQVENSSLPQADEIQVIEEADEEE
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  Blast E-value cutoff:
BDBM50300953
NameBDBM50300953
Synonyms:3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one | CHEMBL567470
TypeSmall organic molecule
Emp. Form.C24H31N5O4
Mol. Mass.453.534
SMILESCCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(24.97,-.51,;23.64,-1.28,;23.64,-2.82,;22.3,-3.59,;22.3,-5.13,;20.97,-5.9,;20.97,-7.44,;22.3,-8.21,;23.62,-7.45,;24.95,-8.21,;24.95,-9.75,;23.62,-10.52,;22.3,-9.75,;20.97,-10.52,;19.62,-9.75,;18.29,-10.51,;16.96,-9.74,;15.63,-10.51,;14.29,-9.73,;14.3,-8.19,;12.97,-7.41,;15.64,-7.43,;16.97,-8.2,;19.64,-8.21,;18.31,-7.44,;26.28,-7.43,;27.61,-8.2,;28.94,-7.43,;28.94,-5.89,;30.27,-5.11,;31.61,-5.87,;27.59,-5.12,;26.27,-5.9,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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