4UWH

Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016301	molecular_function	kinase activity
A	0046854	biological_process	phosphatidylinositol phosphate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1874

Chain	Residue
A	ARG659
A	LEU667
A	HOH2271
A	HOH2272
A	HOH2273
A	HOH2280

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 1875

Chain	Residue
A	HOH2117
A	HOH2119
A	HOH2128
A	GLU439
A	HIS857
A	SER861

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE JXM A 1876

Chain	Residue
A	PHE612
A	PRO618
A	ILE634
A	LYS636
A	TYR670
A	MET682
A	GLN683
A	PHE684
A	ILE685
A	SER687
A	LEU750
A	ILE760
A	ASP761
A	HOH2248
A	HOH2260
A	HOH2320

---

Functional Information from PROSITE/UniProt

site_id	PS00915
Number of Residues	15
Details	PI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKhg.DDLRQDqlilQ

Chain	Residue	Details
A	PHE635-GLN649

---

site_id	PS00916
Number of Residues	21
Details	PI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVitYILgVgDRHldN

Chain	Residue	Details
A	SER728-ASN748

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	266
Details	Domain: {"description":"PI3K/PI4K catalytic","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Region: {"description":"G-loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Region: {"description":"Catalytic loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	21
Details	Region: {"description":"Activation loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---