Receptor
PDB id Resolution Class Description Source Keywords
2X24 2.4 Å EC: 7.-.-.- BOVINE ACC2 CT DOMAIN IN COMPLEX WITH INHIBITOR BOS TAURUS FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS
Ref.: DESIGN OF SMALL MOLECULE INHIBITORS OF ACETYL-COA CARBOXYLASE 1 AND 2 SHOWING REDUCTION OF HEPATIC MALONYL-COA LEVELS IN VIVO IN OBESE ZUCKER RATS. BIOORG.MED.CHEM. V. 19 3039 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X24 A:1715;
B:1714;
Valid;
Valid;
none;
none;
submit data
502.648 C30 H38 N4 O3 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X24 2.4 Å EC: 7.-.-.- BOVINE ACC2 CT DOMAIN IN COMPLEX WITH INHIBITOR BOS TAURUS FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS
Ref.: DESIGN OF SMALL MOLECULE INHIBITORS OF ACETYL-COA CARBOXYLASE 1 AND 2 SHOWING REDUCTION OF HEPATIC MALONYL-COA LEVELS IN VIVO IN OBESE ZUCKER RATS. BIOORG.MED.CHEM. V. 19 3039 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3K8X - B89 C17 H24 Cl N O4 CC/C(=NOC/....
3 3H0Q - B37 C32 H29 N3 O Cc1ccc2cc(....
4 1UYR - D1L C15 H12 Cl2 O4 C[C@H](C(=....
5 5CTB - 57J C24 H25 N3 O3 Cc1cc(cc2c....
6 5CTE - 57L C24 H34 N4 O3 Cc1cc(cc2c....
7 4WZ8 - 3W7 C22 H25 N5 O2 CC(C)n1c2c....
8 3TVU - B37 C32 H29 N3 O Cc1ccc2cc(....
9 3H0S - B38 C22 H21 N3 O3 Cc1ccc2c(c....
10 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: X24; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 X24 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X24; Ligand: X24; 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: 2x24.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2X24; Ligand: X24; 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: 2x24.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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