Receptor
PDB id Resolution Class Description Source Keywords
2QEH 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE D7R4-SEROTONIN COMPLE ANOPHELES GAMBIAE ALL-HELICAL ODORANT-BINDING PROTEIN LIGAND BINDING PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF D7R4, A SALIVARY BIOGENIC AMINE-BINDING PROTEIN FROM THE MALARIA MOSQUITO ANO GAMBIAE J.BIOL.CHEM. V. 282 36626 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRO A:145;
Valid;
none;
Kd = 2.4 nM
176.215 C10 H12 N2 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QEH 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE D7R4-SEROTONIN COMPLE ANOPHELES GAMBIAE ALL-HELICAL ODORANT-BINDING PROTEIN LIGAND BINDING PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF D7R4, A SALIVARY BIOGENIC AMINE-BINDING PROTEIN FROM THE MALARIA MOSQUITO ANO GAMBIAE J.BIOL.CHEM. V. 282 36626 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2QEB - HSM C5 H9 N3 c1c(nc[nH]....
2 2QEO - LNR C8 H11 N O3 c1cc(c(cc1....
3 2PQL Kd = 53 nM TSS C10 H12 N2 c1ccc2c(c1....
4 2QEH Kd = 2.4 nM SRO C10 H12 N2 O c1cc2c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2QEB - HSM C5 H9 N3 c1c(nc[nH]....
2 2QEO - LNR C8 H11 N O3 c1cc(c(cc1....
3 2PQL Kd = 53 nM TSS C10 H12 N2 c1ccc2c(c1....
4 2QEH Kd = 2.4 nM SRO C10 H12 N2 O c1cc2c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2QEB - HSM C5 H9 N3 c1c(nc[nH]....
2 2QEO - LNR C8 H11 N O3 c1cc(c(cc1....
3 2PQL Kd = 53 nM TSS C10 H12 N2 c1ccc2c(c1....
4 2QEH Kd = 2.4 nM SRO C10 H12 N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SRO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SRO 1 1
2 ASE 0.581818 0.785714
3 TSS 0.48 0.823529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QEH; Ligand: SRO; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 2qeh.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CYV WCA 0.0238 0.40393 None
2 1SR7 MOF 0.04135 0.40043 2.06897
3 4JR7 GNP 0.01257 0.40941 3.44828
4 4YNM SAM 0.01526 0.40525 3.44828
5 1J78 OLA 0.01021 0.40283 4.13793
6 5V13 JH3 0.005974 0.42734 6.2069
7 4K49 HFQ 0.04042 0.40414 8.82353
8 3G5N PB2 0.04478 0.42779 10.3448
9 3S43 478 0.02515 0.40942 25.2525
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