3HDZ

Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	cGMP-specific 3',5'-cyclic phosphodiesterase,cAMP-specific 3',5'-cyclic phosphodiesterase 4A,cGMP-specific 3',5'-cyclic phosphodiesterase	polymer	324	37352.0	1	UniProt (O76074) UniProt (P27815) Pfam (PF00233) In PDB	Homo sapiens (Human)	cGMP-binding cGMP-specific phosphodiesterase,CGB-PDE,DPDE2,PDE46,cGMP-binding cGMP-specific phosphodiesterase,CGB-PDE
2	A	5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one	non-polymer		293.4	1	Chemie (PD6)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5		water	water		18.0	385	Chemie (HOH)

Sequence modifications

A: 536 - 657 (UniProt: O76074)
A: 658 - 681 (UniProt: P27815)
A: 682 - 858 (UniProt: O76074)

PDB	External Database	Details
Glu 751	Gln 751	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37352.0
Non-Polymers*	Number of molecules	3
	Total formula weight	383.1
All*	Total formula weight	37735.1

*Water molecules are not included.