Receptor
PDB id Resolution Class Description Source Keywords
5j75 2 Å NON-ENZYME: OTHER FLUOROGEN ACTIVATING PROTEIN AM2.2 IN COMPLEX WITH ML342 HOMO SAPIENS FLUOROGEN ACTIVATING PROTEIN DRUG DISCOVERY BIOSENSOR PROTRAFFICKING IMMUNE SYSTEM
Ref.: DISCOVERY OF SMALL-MOLECULE NONFLUORESCENT INHIBITO FLUOROGEN-FLUOROGEN ACTIVATING PROTEIN BINDING PAIR J BIOMOL SCREEN V. 21 74 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6GQ A:303;
B:303;
 Valid;
Valid;
 none;
none;
 Ki = 0.63 nM
388.484 C19 H24 N4 O3 S Cc1cc...
PO4 A:302;
A:301;
B:301;
B:302;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5J75 2 Å NON-ENZYME: OTHER FLUOROGEN ACTIVATING PROTEIN AM2.2 IN COMPLEX WITH ML342 HOMO SAPIENS FLUOROGEN ACTIVATING PROTEIN DRUG DISCOVERY BIOSENSOR PROTRAFFICKING IMMUNE SYSTEM
Ref.: DISCOVERY OF SMALL-MOLECULE NONFLUORESCENT INHIBITO FLUOROGEN-FLUOROGEN ACTIVATING PROTEIN BINDING PAIR J BIOMOL SCREEN V. 21 74 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5J75 Ki = 0.63 nM 6GQ C19 H24 N4 O3 S Cc1ccc(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6QB9 - TLA C4 H6 O6 [C@@H]([C@....
2 5J75 Ki = 0.63 nM 6GQ C19 H24 N4 O3 S Cc1ccc(cc1....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4GQP Kd = 0.79 nM B40 C10 H15 N C[C@@H](Cc....
2 3GKZ Kd = 10 nM B40 C10 H15 N C[C@@H](Cc....
3 3GM0 Kd = 17 nM B41 C11 H15 N O2 C[C@@H](Cc....
4 5YD4 Kd = 13 uM ASP ILE ASN TYR TYR ALA SER GLU PRO n/a n/a
5 5YY4 Kd = 140 nM ASP ILE ASN TYS TYS THR SER GLU PRO n/a n/a
6 5YD3 Kd = 480 nM ASP ILE ASN TYR TYR THR SER GLU PRO n/a n/a
7 5YD5 Kd = 1.3 uM ASP ILE ALA TYR TYR THR SER GLU PRO n/a n/a
8 6QB9 - TLA C4 H6 O6 [C@@H]([C@....
9 4H0I - MMA C7 H14 O6 CO[C@@H]1[....
10 5VF2 - GLC GLC n/a n/a
11 5J75 Ki = 0.63 nM 6GQ C19 H24 N4 O3 S Cc1ccc(cc1....
12 5A2K - ALA PRO ASP THR ARG PRO A2G n/a n/a
13 6FRJ Kd = 141 uM ALA PRO ASP T9E ARG PRO NH2 A2G n/a n/a
14 5A2L - ALA PRO ASP CYS ARG PRO A2G n/a n/a
15 5A2I - ALA PRO ASP SER ARG PRO A2G n/a n/a
16 6FZR - ALA PRO ASP THR ARG PRO EEQ n/a n/a
17 6FZQ - ALA PRO ASP THR ARG PRO EEN n/a n/a
18 5A2J - ALA PRO ASP THR ARG PRO n/a n/a
19 5FXC - ALA PRO ASP THR ARG PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6GQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6GQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6GQ; 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 : 5J75; Ligand: 6GQ; 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: 5j75.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5J75; Ligand: 6GQ; 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: 5j75.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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