Receptor
PDB id Resolution Class Description Source Keywords
3H3T 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CERT START DOMAIN IN COMPLEX WITH H HOMO SAPIENS LIPID TRANSFER PROTEIN CERT CERAMIDE TRANSFER LIPID TRANS
Ref.: CRYSTAL STRUCTURES OF THE CERT START DOMAIN WITH IN PROVIDE INSIGHTS INTO THE MECHANISM OF CERAMIDE TRA J.MOL.BIOL. V. 396 245 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16H A:600;
B:600;
Valid;
Valid;
none;
none;
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419.64 C26 H45 N O3 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E3N 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH C6- CERAMIDE (P212121) HOMO SAPIENS LIPID TRANSFER PROTEIN CERT CERAMIDE TRANSFER LIPID TRANSPORT
Ref.: STRUCTURAL BASIS FOR SPECIFIC LIPID RECOGNITION BY CERT RESPONSIBLE FOR NONVESICULAR TRAFFICKING OF CERAMIDE. PROC.NATL.ACAD.SCI.USA V. 105 488 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 16H; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 16H 1 1
2 H13 1 1
3 H15 1 1
4 14H 1 1
5 1K4 0.402985 0.822222
6 18C 0.402778 0.844444
7 16C 0.402778 0.844444
8 SPL 0.402778 0.844444
Similar Ligands (3D)
Ligand no: 1; Ligand: 16H; 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 : 2E3N; Ligand: 6CM; 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: 2e3n.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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