Receptor
PDB id Resolution Class Description Source Keywords
6IIU 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN THROMBOXANE A2 RECEPTOR BOUND RAMATROBAN ESCHERICHIA COLI, HOMO SAPIENS, CLOSTRPASTEURIANUM GPCR COMPLEX ANTAGONIST SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR LIGAND RECOGNITION OF THE HUMA THROMBOXANE A2RECEPTOR. NAT. CHEM. BIOL. V. 15 27 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLR A:9003;
 Invalid;
 none;
 submit data
386.654 C27 H46 O CC(C)...
OLC A:9005;
A:9004;
 Invalid;
Invalid;
 none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
A8X A:9001;
 Valid;
 none;
 Ki = 11 nM
416.466 C21 H21 F N2 O4 S c1ccc...
GOL A:9006;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN A:9002;
 Invalid;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IIU 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN THROMBOXANE A2 RECEPTOR BOUND RAMATROBAN ESCHERICHIA COLI, HOMO SAPIENS, CLOSTRPASTEURIANUM GPCR COMPLEX ANTAGONIST SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR LIGAND RECOGNITION OF THE HUMA THROMBOXANE A2RECEPTOR. NAT. CHEM. BIOL. V. 15 27 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6IIU Ki = 11 nM A8X C21 H21 F N2 O4 S c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6IIU Ki = 11 nM A8X C21 H21 F N2 O4 S c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6IIU Ki = 11 nM A8X C21 H21 F N2 O4 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A8X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A8X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: A8X; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6IIU; Ligand: A8X; 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: 6iiu.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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