Receptor
PDB id Resolution Class Description Source Keywords
4zgm 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SEMAGLUTIDE PEPTIDE BACKBONE IN COMPLEX GLP-1 RECEPTOR EXTRACELLULAR DOMAIN HOMO SAPIENS GLP-1 RECEPTOR COMPLEX SIGNALING PROTEIN
Ref.: DISCOVERY OF THE ONCE-WEEKLY GLUCAGON-LIKE PEPTIDE-ANALOGUE SEMAGLUTIDE. J.MED.CHEM. V. 58 7370 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
32M A:201;
B:101;
 Valid;
Valid;
 none;
none;
 ic50 = 357 nM
394.543 C20 H42 O7 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZGM 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF SEMAGLUTIDE PEPTIDE BACKBONE IN COMPLEX GLP-1 RECEPTOR EXTRACELLULAR DOMAIN HOMO SAPIENS GLP-1 RECEPTOR COMPLEX SIGNALING PROTEIN
Ref.: DISCOVERY OF THE ONCE-WEEKLY GLUCAGON-LIKE PEPTIDE-ANALOGUE SEMAGLUTIDE. J.MED.CHEM. V. 58 7370 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4ZGM ic50 = 357 nM 32M C20 H42 O7 CCCCCCCCOC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4ZGM ic50 = 357 nM 32M C20 H42 O7 CCCCCCCCOC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4ZGM ic50 = 357 nM 32M C20 H42 O7 CCCCCCCCOC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 32M; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 CE1 1 1
2 32M 1 1
3 C10 1 1
4 C8E 1 1
5 N8E 1 1
6 CE9 1 1
7 FWN 0.514286 0.925926
8 P4K 0.514286 0.962963
9 AE4 0.514286 0.962963
10 7PE 0.514286 0.962963
11 PE5 0.514286 0.962963
12 PE4 0.514286 0.962963
13 AE3 0.485714 0.888889
14 2PE 0.483871 0.785714
15 PE8 0.483871 0.785714
16 P33 0.483871 0.785714
17 PE3 0.483871 0.785714
18 P6G 0.483871 0.785714
19 12P 0.483871 0.785714
20 33O 0.483871 0.785714
21 PG4 0.483871 0.75
22 1PE 0.483871 0.785714
23 XPE 0.483871 0.785714
24 PGE 0.451613 0.75
25 P15 0.432432 0.892857
26 ETE 0.432432 0.857143
27 TOE 0.432432 0.857143
28 1PG 0.432432 0.892857
29 15P 0.432432 0.892857
30 PEU 0.432432 0.892857
31 7PG 0.432432 0.892857
32 CQX 0.413793 0.619048
33 Y69 0.413043 0.785714
34 OC9 0.4 0.714286
35 F09 0.4 0.714286
36 1DO 0.4 0.714286
37 PL3 0.4 0.714286
38 O8N 0.4 0.714286
39 DE1 0.4 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: 32M; 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 : 4ZGM; Ligand: 32M; 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: 4zgm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZGM; Ligand: 32M; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4zgm.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
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