Receptor
PDB id Resolution Class Description Source Keywords
1DTL 2.15 Å NON-ENZYME: MOBILE CRYSTAL STRUCTURE OF CALCIUM-SATURATED (3CA2+) CARDIAC TROPONIN C COMPLEXED WITH THE CALCIUM SENSITIZER BEPRIDIL A T 2.15 A RESOLUTION GALLUS GALLUS HELIX-TURN-HELIX STRUCTURAL PROTEIN
Ref.: BEPRIDIL OPENS THE REGULATORY N-TERMINAL LOBE OF CARDIAC TROPONIN C. PROC.NATL.ACAD.SCI.USA V. 97 5140 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEP A:204;
A:205;
A:206;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
366.54 C24 H34 N2 O CC(C)...
CA A:201;
A:202;
A:203;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DTL 2.15 Å NON-ENZYME: MOBILE CRYSTAL STRUCTURE OF CALCIUM-SATURATED (3CA2+) CARDIAC TROPONIN C COMPLEXED WITH THE CALCIUM SENSITIZER BEPRIDIL A T 2.15 A RESOLUTION GALLUS GALLUS HELIX-TURN-HELIX STRUCTURAL PROTEIN
Ref.: BEPRIDIL OPENS THE REGULATORY N-TERMINAL LOBE OF CARDIAC TROPONIN C. PROC.NATL.ACAD.SCI.USA V. 97 5140 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1DTL - BEP C24 H34 N2 O CC(C)COC[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 56 families.
1 1DTL - BEP C24 H34 N2 O CC(C)COC[C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1DTL - BEP C24 H34 N2 O CC(C)COC[C....
2 3IF7 Kd = 61 nM SPU C23 H50 N2 O5 P CCCCCCCCCC....
3 1QIW Kd = 18 nM DPD C34 H48 N2 O2 CCCCOc1ccc....
4 1LIN - TFP C21 H24 F3 N3 S CN1CCN(CC1....
5 1L7Z Kd = 3 nM GLY GLY LYS LEU SER LYS LYS LYS LYS MYR n/a n/a
6 1CTR - TFP C21 H24 F3 N3 S CN1CCN(CC1....
7 1XA5 Kd = 316 nM KAR C46 H56 Cl N5 O7 CC[C@@]1(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CQN 1 1
2 BEP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DTL; Ligand: BEP; 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: 1dtl.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DTL; Ligand: BEP; 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: 1dtl.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1DTL; Ligand: BEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1dtl.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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