Receptor
PDB id Resolution Class Description Source Keywords
6PY0 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOUSE SERUM AMYLOID A3 (SAA3) BOUND WIT MUS MUSCULUS RETINOL BINDING ASYMMETRIC TRIMER TRANSPORT PROTEIN
Ref.: MOLECULAR BASIS FOR RETINOL BINDING BY SERUM AMYLOI DURING INFECTION. PROC.NATL.ACAD.SCI.USA V. 116 19077 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RTL C:201;
Valid;
none;
submit data
286.452 C20 H30 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6PY0 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOUSE SERUM AMYLOID A3 (SAA3) BOUND WIT MUS MUSCULUS RETINOL BINDING ASYMMETRIC TRIMER TRANSPORT PROTEIN
Ref.: MOLECULAR BASIS FOR RETINOL BINDING BY SERUM AMYLOI DURING INFECTION. PROC.NATL.ACAD.SCI.USA V. 116 19077 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6PY0 - RTL C20 H30 O CC1=C(C(CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6PY0 - RTL C20 H30 O CC1=C(C(CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6PY0 - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RTL; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 RTL 1 1
2 RNE 0.766667 0.709677
3 BCR 0.736842 0.703704
4 AZE 0.711864 0.730769
5 RET 0.688525 0.740741
6 REA 0.671875 0.758621
7 9CR 0.671875 0.758621
8 ETR 0.614286 0.638889
9 OXR 0.57971 0.774194
10 ECH 0.575342 0.645161
11 3ON 0.417722 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: RTL; Similar ligands found: 5
No: Ligand Similarity coefficient
1 R12 0.9139
2 BOG 0.8648
3 JPW 0.8646
4 9RB 0.8576
5 R13 0.8554
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6PY0; Ligand: RTL; 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: 6py0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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