Receptor
PDB id Resolution Class Description Source Keywords
4G28 1.63 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CALCIUM-CALMODULIN COMPLEXED WITH THE CALMODULIN BINDING DOM SMALL CONDUCTANCE POTASSIUM CHANNEL SPLICE VARIANT AND EBIO RATTUS NORVEGICUS PROTEIN-PROTEIN COMPLEX EF HAND METAL BINDING PROTEIN METTRANSPORT-CALCIUM BINDING PROTEIN COMPLEX
Ref.: IDENTIFICATION OF THE FUNCTIONAL BINDING POCKET FOR COMPOUNDS TARGETING SMALL-CONDUCTANCE CA(2+)-ACTIVA POTASSIUM CHANNELS. NAT COMMUN V. 3 1021 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0W8 R:1006;
Valid;
none;
submit data
162.188 C9 H10 N2 O CCN1c...
CA R:1001;
R:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL R:1003;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 B:501;
R:1004;
R:1005;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V03 1.58 Å NON-ENZYME: TRANSCRIPT_TRANSLATE A POSITIVE ALLOSTERIC MODULATOR BINDING POCKET IN SK2 ION CH SHARED BY RILUZOLE AND CYPPA HOMO SAPIENS CALCIUM-ACTIVATED ION CHANNELS ACTIVATOR CALMODULIN TRANSPROTEIN-METAL BINDING PROTEIN COMPLEX
Ref.: AN INTRACELLULAR ALLOSTERIC MODULATOR BINDING POCKE ION CHANNELS IS SHARED BY MULTIPLE CHEMOTYPES. STRUCTURE V. 26 533 2018
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4J9Z - 1KP C8 H4 Cl2 N2 O2 c1cc(c(c2c....
2 5V03 - 658 C15 H14 Cl N5 Cc1cc(n(n1....
3 5WC5 - AJV C8 H5 F N2 O2 C1=CC2=C(C....
4 4G28 - 0W8 C9 H10 N2 O CCN1c2cccc....
5 5V02 - 657 C8 H5 F3 N2 O S c1cc2c(cc1....
6 5WBX - AJY C9 H7 Br N2 O2 Cc1cc2c(cc....
7 4G27 - PHU C7 H8 N2 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0W8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0W8 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V03; Ligand: 658; 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: 5v03.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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