Receptor
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DL4 A:100;
 Valid;
 none;
 submit data
414.621 C27 H42 O3 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DL4; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DL4 1 1
2 K2B 0.8 0.775
3 3G6 0.695122 0.923077
4 XCA 0.556701 0.926829
5 1CA 0.544444 0.837209
6 TH2 0.542553 0.926829
7 TES 0.541176 0.85
8 FFA 0.541176 0.85
9 STR 0.54023 0.794872
10 Y01 0.445455 0.904762
11 ASD 0.426966 0.794872
12 CLR 0.407767 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: DL4; Similar ligands found: 13
No: Ligand Similarity coefficient
1 D7S 0.9581
2 HC3 0.9433
3 5JK 0.9371
4 DL7 0.9311
5 ERG 0.9132
6 L39 0.9026
7 0T9 0.9019
8 HCR 0.8913
9 BLD 0.8724
10 4OA 0.8673
11 LAN 0.8626
12 3KL 0.8602
13 C3S 0.8591
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GYT; Ligand: DL4; 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: 3gyt.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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