Receptor
PDB id Resolution Class Description Source Keywords
3BRN 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AM182 SEROTONIN COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SRO A:158;
B:158;
Valid;
Valid;
none;
none;
Kd < 2 nM
176.215 C10 H12 N2 O c1cc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BRN 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AM182 SEROTONIN COMPLEX ARGAS MONOLAKENSIS BETA BARREL LIPOCALIN LIGAND BINDING PROTEIN
Ref.: STRUCTURE, FUNCTION, AND EVOLUTION OF BIOGENIC AMIN PROTEINS IN SOFT TICKS. J.BIOL.CHEM. V. 283 18721 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3BRN Kd < 2 nM SRO C10 H12 N2 O c1cc2c(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3BU1 Kd = 7.1 nM HSM C5 H9 N3 c1c(nc[nH]....
2 3BRN Kd < 2 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 : 3BRN; Ligand: SRO; 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: 3brn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3BRN; Ligand: SRO; 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: 3brn.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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