Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02001 | Target Info | |||
| Target Name | Phosphodiesterase 4D (PDE4D) | ||||
| Synonyms | cAMP-specific 3',5'-cyclic phosphodiesterase 4D; PDE43; DPDE3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PDE4D | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | RS-25344 | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=C4 | ||||
| InChI | 1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2 | ||||
| InChIKey | YLHRMVRLIOIWTO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 9842556 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3G4G Crystal structure of human phosphodiesterase 4d with regulatory domain and d155871 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
NQVSEFISNT
200 FLDEDVLAKE261 LEDVNKWGLH271 VFRIAELSGN281 RPLTVIMHTI291 FQERDLLKTF 301 KIPVDTLITY311 LMTLEDHYHA321 DVAYHNNIHA331 ADVVQSTHVL341 LSTPALEAVF 351 TDLEILAAIF361 ASAIHDVDHP371 GVSNQFLINT381 NSELALMYND391 SSVLENHHLA 401 VGFKLLQEEN411 CDIFQNLTKK421 QRQSLRKMVI431 DIVLATDMSK441 HMNLLADLKT 451 MVETKKVTSS461 GVLLLDNYSD471 RIQVLQNMVH481 CADLSNPTKP491 LQLYRQWTDR 501 IMEEFFRQGD511 RERERGMEIS521 PMCDKHNASV531 EKSQVGFIDY541 IVHPLWETWA 551 DLVHPDAQDI561 LDTLEDNREW571 YQSTIPQA
|
|||||
|
|
VAL193
4.032
PHE196
3.295
ILE197
3.195
THR200
4.075
PHE201
3.611
TYR325
3.376
HIS326
3.507
MET439
3.763
ASP484
4.038
LEU485
3.586
ASN487
3.552
PRO488
4.805
|
|||||
| PDB ID: 3G4I Crystal structure of human phosphodiesterase 4d with d155871 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
FGVKTEQEDV
257 LAKELEDVNK267 WGLHVFRIAE277 LSGNRPLTVI287 MHTIFQERDL297 LKTFKIPVDT 307 LITYLMTLED317 HYHADVAYHN327 NIHAADVVQS337 THVLLSTPAL347 EAVFTDLEIL 357 AAIFASAIHD367 VDHPGVSNQF377 LINTNSELAL387 MYNDSSVLEN397 HHLAVGFKLL 407 QEENCDIFQN417 LTKKQRQSLR427 KMVIDIVLAT437 DMSKHMNLLA447 DLKTMVETKK 457 VTSSGVLLLD467 NYSDRIQVLQ477 NMVHCADLSN487 PTKPLQLYRQ497 WTDRIMEEFF 507 RQGDRERERG517 MEISPMCDKH527 NASVEKSQVG537 FIDYIVHPLW547 ETWADLVHPD 557 AQDILDTLED567 NREWYQSTIP577 Q
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety. Nat Biotechnol. 2010 Jan;28(1):63-70. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.