Receptor
PDB id Resolution Class Description Source Keywords
4FYS 2.01 Å EC: 3.4.11.2 HUMAN AMINOPEPTIDASE N (CD13) IN COMPLEX WITH ANGIOTENSIN IV HOMO SAPIENS METALLOPROTEASE HYDROLASE-HORMONE COMPLEX
Ref.: THE X-RAY CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE REVEALS A NOVEL DIMER AND THE BASIS FOR PEPTIDE PRO J.BIOL.CHEM. V. 287 36804 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1001;
A:1005;
A:1006;
A:1009;
A:1010;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG D:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
NAG NAG BMA B:1;
 Invalid;
 none;
 submit data
570.545 n/a O=C(N...
SO4 A:1011;
A:1012;
A:1013;
A:1014;
A:1015;
A:1016;
A:1017;
A:1018;
A:1019;
A:1020;
A:1021;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
VAL TYR ILE HIS PRO PHE C:1;
 Valid;
 none;
 Kd = 15 uM
612.752 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FYS 2.01 Å EC: 3.4.11.2 HUMAN AMINOPEPTIDASE N (CD13) IN COMPLEX WITH ANGIOTENSIN IV HOMO SAPIENS METALLOPROTEASE HYDROLASE-HORMONE COMPLEX
Ref.: THE X-RAY CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE REVEALS A NOVEL DIMER AND THE BASIS FOR PEPTIDE PRO J.BIOL.CHEM. V. 287 36804 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4FYS Kd = 15 uM VAL TYR ILE HIS PRO PHE n/a n/a
2 4FYT - L2O VAL VAL ASP n/a n/a
3 4FYR - BES C16 H24 N2 O4 CC(C)C[C@@....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4FYS Kd = 15 uM VAL TYR ILE HIS PRO PHE n/a n/a
2 4FYT - L2O VAL VAL ASP n/a n/a
3 4FYR - BES C16 H24 N2 O4 CC(C)C[C@@....
4 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
5 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
6 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4FYS Kd = 15 uM VAL TYR ILE HIS PRO PHE n/a n/a
2 4FYT - L2O VAL VAL ASP n/a n/a
3 4FYR - BES C16 H24 N2 O4 CC(C)C[C@@....
4 6T6R - MNZ C20 H28 O4 C[C@@H]1C[....
5 6Q4R - HJ5 C24 H32 N3 O4 P C#CC[C@H](....
6 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN n/a n/a
7 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
8 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
9 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
10 4KX8 - L2O VAL VAL ASP n/a n/a
11 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VAL TYR ILE HIS PRO PHE; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL TYR ILE HIS PRO PHE 1 1
2 TYR TYR SER ILE ALA PRO HIS SER ILE 0.55 0.871429
3 TYR TYR SER ILE ILE PRO HIS SER ILE 0.532374 0.871429
4 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.527559 0.904762
5 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.503497 0.871429
6 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.5 0.920635
7 HIS SER ILE THR TYR LEU LEU PRO VAL 0.493333 0.898551
8 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.486667 0.911765
9 ASP ARG VAL TYR ILE HIS PRO PHE 0.458333 0.760563
10 ACE ARG TYR ALA VAL VAL PRO ASP GLU 0.452555 0.823529
11 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.451128 0.802817
12 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.449367 0.953846
13 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.447552 0.852941
14 HIS ILE PHE SER 0.446281 0.709677
15 GLY HIS ARG PRO NH2 0.440945 0.724638
16 DHI PRO PHE HIS LEU LEU VAL TYR 0.433121 0.953125
17 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.431507 0.84058
18 PRO HIS PRO PHE HIS LAV ILE HIS LYS 0.425926 0.890625
19 ASP ILE ASN TYR TYR THR SER GLU PRO 0.425676 0.816901
20 ARG LEU TYR HIS SEP LEU PRO ALA 0.419753 0.782051
21 BOC HIS PRO PHE HIS LOV ILE HIS 0.41875 0.842857
22 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.4125 0.884058
23 ACE PHE HIS PRO ALA NH2 0.412214 0.857143
24 ACE PHE HIS THR ABA NH2 0.408 0.69697
25 SER HIS PRO ARG PRO ILE ARG VAL 0.407895 0.77027
26 ALA ILE HIS 0.405405 0.68254
27 TYR HIS SEP VAL VAL ARG TYR ALA 0.405229 0.670886
28 ALA ARG SER HIS SEP TYR PRO ALA 0.404908 0.746835
29 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.403974 0.816901
30 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.403846 0.892308
31 BOC HIS PRO PHE ALA LOV ILE HIS 0.402439 0.842857
32 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.4 0.842857
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL TYR ILE HIS PRO PHE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback