Receptor
PDB id Resolution Class Description Source Keywords
6GIU 1.39 Å EC: 3.1.3.25 HUMAN IMPASE WITH L-690330 HOMO SAPIENS IMPASE COMPLEX LITHIUM HYDROLASE
Ref.: CO-CRYSTALLIZATION OF HUMAN INOSITOL MONOPHOSPHATAS THE LITHIUM MIMETIC L-690,330. ACTA CRYSTALLOGR D STRUCT V. 74 973 2018 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:309;
B:309;
A:310;
A:308;
A:312;
B:307;
A:314;
A:307;
B:312;
B:306;
A:316;
A:305;
A:306;
A:311;
B:311;
A:315;
B:310;
B:308;
A:313;
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;
submit data
92.094 C3 H8 O3 C(C(C...
MN B:303;
A:303;
B:304;
B:301;
B:302;
A:301;
A:302;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
L69 A:304;
B:305;
Valid;
Valid;
none;
none;
submit data
298.124 C8 H12 O8 P2 CC(Oc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GIU 1.39 Å EC: 3.1.3.25 HUMAN IMPASE WITH L-690330 HOMO SAPIENS IMPASE COMPLEX LITHIUM HYDROLASE
Ref.: CO-CRYSTALLIZATION OF HUMAN INOSITOL MONOPHOSPHATAS THE LITHIUM MIMETIC L-690,330. ACTA CRYSTALLOGR D STRUCT V. 74 973 2018 BIOL
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L69; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L69 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: L69; Similar ligands found: 12
No: Ligand Similarity coefficient
1 RIS 0.9395
2 NI9 0.9338
3 HRX 0.8988
4 CBQ 0.8965
5 BZS 0.8962
6 2B4 0.8937
7 3YQ 0.8848
8 1KM 0.8812
9 ZOL 0.8757
10 C6J 0.8707
11 GAT 0.8647
12 GEO 0.8604
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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