3HDZ

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
A	0007165	biological_process	signal transduction
A	0008081	molecular_function	phosphoric diester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PD6 A 400

Chain	Residue
A	HOH258
A	HOH376
A	ALA767
A	LEU804
A	MET816
A	GLN817
A	PHE820

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ZN A 864

Chain	Residue
A	HIS617
A	HIS653
A	ASP654
A	ASP764
A	MG865
A	HOH5
A	HOH27

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 865

Chain	Residue
A	HOH3
A	HOH5
A	HOH8
A	HOH383
A	HOH384
A	ASP654
A	ZN864

---

Functional Information from PROSITE/UniProt

site_id	PS00126
Number of Residues	12
Details	PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHpGvsNqF

Chain	Residue	Details
A	HIS653-PHE664

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17727341","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2009","submissionDatabase":"PDB data bank","title":"Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone.","authors":["Cheng R.K.Y.","Crawley L.","Barker J.","Wood M.","Felicetti B.","Whittaker M."]}},{"source":"PDB","id":"2QYK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3I8V","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---