Receptor
PDB id Resolution Class Description Source Keywords
4A9C 2.1 Å EC: 3.1.3.86 CRYSTAL STRUCTURE OF HUMAN SHIP2 IN COMPLEX WITH BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE HOMO SAPIENS SGC PHOSPHATIDYLINOSITOL SIGNALLING STRUCTURAL GENOMICS CONSORTIUM STOCKHOLM MAGNESIUM BINDING HYDROLASE INHIBIT
Ref.: A SYNTHETIC POLYPHOSPHOINOSITIDE HEADGROUP SURROGAT COMPLEX WITH SHIP2 PROVIDES A RATIONALE FOR DRUG DI ACS CHEM.BIOL. V. 7 822 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B5F B:1732;
 Valid;
 none;
 ic50 = 24.8 uM
634.104 C12 H15 O20 P5 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A9C 2.1 Å EC: 3.1.3.86 CRYSTAL STRUCTURE OF HUMAN SHIP2 IN COMPLEX WITH BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE HOMO SAPIENS SGC PHOSPHATIDYLINOSITOL SIGNALLING STRUCTURAL GENOMICS CONSORTIUM STOCKHOLM MAGNESIUM BINDING HYDROLASE INHIBIT
Ref.: A SYNTHETIC POLYPHOSPHOINOSITIDE HEADGROUP SURROGAT COMPLEX WITH SHIP2 PROVIDES A RATIONALE FOR DRUG DI ACS CHEM.BIOL. V. 7 822 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A9C ic50 = 24.8 uM B5F C12 H15 O20 P5 c1c(cc(cc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A9C ic50 = 24.8 uM B5F C12 H15 O20 P5 c1c(cc(cc1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A9C ic50 = 24.8 uM B5F C12 H15 O20 P5 c1c(cc(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: B5F; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 B5F 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: B5F; 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 : 4A9C; Ligand: B5F; 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: 4a9c.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback