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 1256 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 1068 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 922 families.
1 3QDC - RET C20 H28 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
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 9CR 0.704918 0.84
5 REA 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 RET RET 0.558442 0.826087
11 45D 0.455882 0.714286
12 6KX 0.425926 0.952381
13 EQ3 0.404762 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QDC; Ligand: RET; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 3qdc.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4URN NOV 0.01591 0.40578 1.77778
2 1XQD DND 0.003792 0.40279 2.09205
3 2FFU UDP 0.01088 0.40031 2.09205
4 3GQT UFO 0.005834 0.41256 2.92887
5 1BZL FAD 0.03851 0.42802 5.43933
6 4TWP AXI 0.04833 0.40966 6.69456
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