Receptor
PDB id Resolution Class Description Source Keywords
3QDC 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NATRONOMONAS PHARAONIS SENSORY RHODOPSI THE ACTIVE STATE NATRONOMONAS PHARAONIS PHOTOTAXIS NPHTRII MEMBRANE MEMBRANE PROTEIN
Ref.: ACTIVE STATE OF SENSORY RHODOPSIN II: STRUCTURAL DETERMINANTS FOR SIGNAL TRANSFER AND PROTON PUMPING J.MOL.BIOL. V. 412 591 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:241;
 Invalid;
 none;
 submit data
292.369 C14 H28 O6 CCCCC...
L2P A:257;
A:260;
 Invalid;
Invalid;
 none;
none;
 submit data
653.157 C43 H88 O3 CC(C)...
LFA A:242;
A:243;
A:244;
A:245;
A:246;
A:247;
A:248;
A:249;
A:250;
A:251;
A:252;
A:253;
A:254;
A:255;
A:256;
A:258;
A:259;
A:261;
A:262;
A:263;
A:264;
A:265;
A:266;
A:267;
A:268;
A:269;
A:270;
A:271;
A:272;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
282.547 C20 H42 CCCCC...
RET A:240;
 Valid;
 none;
 submit data
284.436 C20 H28 O CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QDC 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NATRONOMONAS PHARAONIS SENSORY RHODOPSI THE ACTIVE STATE NATRONOMONAS PHARAONIS PHOTOTAXIS NPHTRII MEMBRANE MEMBRANE PROTEIN
Ref.: ACTIVE STATE OF SENSORY RHODOPSIN II: STRUCTURAL DETERMINANTS FOR SIGNAL TRANSFER AND PROTON PUMPING J.MOL.BIOL. V. 412 591 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3QDC - RET C20 H28 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 3QDC - RET C20 H28 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 3QDC - RET C20 H28 O CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RET; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 RET 1 1
2 BCR 0.811321 0.863636
3 AZE 0.75 0.904762
4 REA 0.704918 0.84
5 9CR 0.704918 0.84
6 RNE 0.688525 0.655172
7 RTL 0.688525 0.740741
8 ECH 0.647059 0.84
9 ETR 0.641791 0.636364
10 QVM 0.464789 0.642857
11 45D 0.455882 0.714286
12 6KX 0.425926 0.952381
13 EQ3 0.404762 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: RET; Similar ligands found: 8
No: Ligand Similarity coefficient
1 R12 0.9311
2 OXR 0.9213
3 R13 0.8939
4 C9G 0.8696
5 2RB 0.8657
6 BOG 0.8641
7 LGS 0.8561
8 4BE 0.8545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QDC; Ligand: RET; 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: 3qdc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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