Receptor
PDB id Resolution Class Description Source Keywords
1UOO 2.35 Å EC: 3.4.21.26 PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH PEPTIDE LIGAND GLY-PHE-ARG-PRO SUS SCROFA HYDROLASE PROLYL OLIGOPEPTIDASE AMNESIA ALPHA/ BETA-HYDROBETA-PROPELLER SERINE PROTEASE
Ref.: ELECTROSTATIC ENVIRONMENT AT THE ACTIVE SITE OF PRO OLIGOPEPTIDASE IS HIGHLY INFLUENTIAL DURING SUBSTRA BINDING J.BIOL.CHEM. V. 278 48786 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY PHE ARG PRO B:723;
 Valid;
 none;
 Kd = 0.29 uM
476.558 n/a O=C(N...
GOL A:1727;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EQ9 2.47 Å EC: 3.4.21.26 PROLYL OLIGOPEPTIDASE COMPLEXED WITH R-PRO-(DECARBOXY-PRO)-T INHIBITORS SUS SCROFA PROTEASE-INHIBITOR COMPLEX HYDROLASE PROTEASE SERINE PROTHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: PROLYL OLIGOPEPTIDASE INHIBITION BY N-ACYL-PRO-PYRROLIDINE-TYPE MOLECULES J.MED.CHEM. V. 51 7514 2008
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DDU ic50 = 40 nM 552 C19 H17 Cl F N3 O3 c1cc(ccc1C....
2 1E8N - BE2 GLY PHE GLY PRO PHE GLY PHE ALA n/a n/a
3 1O6G - GLY SIN PRO n/a n/a
4 1E8M - P0H C15 H18 N2 O5 c1ccc(cc1)....
5 3EQ9 ic50 = 41 nM X97 C28 H32 N4 O4 c1ccc(cc1)....
6 1UOP - GLY PHE GLU PRO n/a n/a
7 1O6F - GLY SIN PRO n/a n/a
8 1UOQ - GLU PHE SER PRO n/a n/a
9 1UOO Kd = 0.29 uM GLY PHE ARG PRO n/a n/a
10 4BCD ic50 = 0.033 uM TDV C27 H30 F N5 O2 c1ccc(cc1)....
11 1H2Z - GLY SIN PRO n/a n/a
12 1QFM - SGL C3 H8 O3 S C([C@H](CS....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DDU ic50 = 40 nM 552 C19 H17 Cl F N3 O3 c1cc(ccc1C....
2 1E8N - BE2 GLY PHE GLY PRO PHE GLY PHE ALA n/a n/a
3 1O6G - GLY SIN PRO n/a n/a
4 1E8M - P0H C15 H18 N2 O5 c1ccc(cc1)....
5 3EQ9 ic50 = 41 nM X97 C28 H32 N4 O4 c1ccc(cc1)....
6 1UOP - GLY PHE GLU PRO n/a n/a
7 1O6F - GLY SIN PRO n/a n/a
8 1UOQ - GLU PHE SER PRO n/a n/a
9 1UOO Kd = 0.29 uM GLY PHE ARG PRO n/a n/a
10 4BCD ic50 = 0.033 uM TDV C27 H30 F N5 O2 c1ccc(cc1)....
11 1H2Z - GLY SIN PRO n/a n/a
12 1QFM - SGL C3 H8 O3 S C([C@H](CS....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3IVM - ZPR C18 H22 N2 O4 c1ccc(cc1)....
2 3IUQ - ZPR C18 H22 N2 O4 c1ccc(cc1)....
3 2BKL - ZAH C16 H20 N2 O5 C[C@@H](C(....
4 3DDU ic50 = 40 nM 552 C19 H17 Cl F N3 O3 c1cc(ccc1C....
5 1E8N - BE2 GLY PHE GLY PRO PHE GLY PHE ALA n/a n/a
6 1O6G - GLY SIN PRO n/a n/a
7 1E8M - P0H C15 H18 N2 O5 c1ccc(cc1)....
8 3EQ9 ic50 = 41 nM X97 C28 H32 N4 O4 c1ccc(cc1)....
9 1UOP - GLY PHE GLU PRO n/a n/a
10 1O6F - GLY SIN PRO n/a n/a
11 1UOQ - GLU PHE SER PRO n/a n/a
12 1UOO Kd = 0.29 uM GLY PHE ARG PRO n/a n/a
13 4BCD ic50 = 0.033 uM TDV C27 H30 F N5 O2 c1ccc(cc1)....
14 1H2Z - GLY SIN PRO n/a n/a
15 1QFM - SGL C3 H8 O3 S C([C@H](CS....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY PHE ARG PRO; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY PHE ARG PRO 1 1
2 GLY PHE GLU PRO 0.738636 0.892857
3 GLY HIS ARG PRO 0.701031 0.916667
4 GLY ASP CYS PHE SER LYS PRO ARG 0.582677 0.875
5 PHE ASN ARG PRO VAL 0.561404 0.903226
6 DPN PRO ARG 0.539216 0.964286
7 GLU PHE SER PRO 0.534653 0.833333
8 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.533333 0.848485
9 1IP CYS PHE SER LYS PRO ARG 0.515152 0.835821
10 GLY HIS ARG PRO NH2 0.513761 0.883333
11 DPN PRO DAR CYS NH2 0.509091 0.913793
12 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.485075 0.808824
13 DPN PRO DAR ILE NH2 0.482456 0.883333
14 DPN PRO DAR DTH NH2 0.482456 0.870968
15 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.470588 0.833333
16 PHE PRO ARG 0.46729 0.928571
17 ARG SEP PRO VAL PHE SER 0.462687 0.771429
18 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.459259 0.859375
19 ALA PHE ARG ILE PRO LEU THR ARG 0.455882 0.808824
20 ARG THR PHE SER PRO THR TYR GLY LEU 0.450704 0.777778
21 0G6 0.449541 0.916667
22 GLY MET PRO ARG GLY ALA 0.445378 0.8
23 ACE TRP ARG VAL PRO 0.44 0.846154
24 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.4375 0.811594
25 SER SER TYR ARG ARG PRO VAL GLY ILE 0.435714 0.763889
26 GLY ASN PHE LEU GLN SER ARG 0.435484 0.671642
27 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.435484 0.754098
28 GLY SER ASP PRO PHE LYS 0.433333 0.793651
29 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.433333 0.861538
30 LEU PRO PHE ASP ARG THR THR ILE MET 0.431507 0.777778
31 VAL MET ALA PRO ARG THR LEU PHE LEU 0.430556 0.774648
32 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.430464 0.797101
33 SER TRP PHE PRO 0.428571 0.731343
34 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.427536 0.794118
35 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.427536 0.846154
36 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.426752 0.753425
37 THR LYS PRO ARG 0.424528 0.912281
38 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.423611 0.835821
39 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.421769 0.823529
40 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.42069 0.823529
41 MET TRP ARG PRO TRP 0.42029 0.779412
42 ASP GLY PTR MET PRO 0.419355 0.689189
43 PAC DLY DLY DAR 0.419048 0.807018
44 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.418033 0.915254
45 ARG PRO PRO GLY PHE 0.418033 0.915254
46 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.417219 0.727273
47 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.415094 0.823529
48 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.414966 0.714286
49 TYR PRO PHE PHE NH2 0.414414 0.746032
50 MAA LYS PRO PHE 0.413793 0.783333
51 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.413043 0.757576
52 VAL PRO LEU ARG PRO MET THR TYR 0.412587 0.743243
53 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.412214 0.84375
54 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.412162 0.823529
55 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.412162 0.797101
56 LEU PRO PHE GLU ARG ALA THR ILE MET 0.411765 0.788732
57 GLY ARG LEU LEU PRO 0.410714 0.866667
58 LEU PRO PHE GLU ARG ALA THR VAL MET 0.407895 0.8
59 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.407143 0.774648
60 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.406452 0.767123
61 GLY PRO ARG PRO 0.40566 0.864407
62 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.405229 0.788732
63 LEU ASN PHE PRO ILE SER PRO 0.404762 0.714286
64 ARG PRO MET THR PHE LYS GLY ALA LEU 0.403846 0.788732
65 ARG PHE PRO LEU THR PHE GLY TRP 0.403846 0.788732
66 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.402597 0.808824
67 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.402597 0.8
68 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.402516 0.875
69 ASP PHE ALA ASN THR PHE LEU PRO 0.401515 0.7
70 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.4 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY PHE ARG PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EQ9; Ligand: X97; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3eq9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback