Receptor
PDB id Resolution Class Description Source Keywords
3UP0 1.6 Å NON-ENZYME: BINDING NUCLEAR RECEPTOR DAF-12 FROM HOOKWORM ANCYLOSTOMA CEYLANICUM COMPLEX WITH (25S)-DELTA7-DAFACHRONIC ACID ANCYLOSTOMA CEYLANICUM NEMATODE STEROID BINDING PROTEIN-TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL CONSERVATION OF LIGAND BINDING REVEALS A ACID-LIKE SIGNALING PATHWAY IN NEMATODES. J.BIOL.CHEM. V. 287 4894 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D7S A:100;
B:200;
Valid;
Valid;
none;
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
3UP3 1.25 Å NON-ENZYME: BINDING NUCLEAR RECEPTOR DAF-12 FROM HOOKWORM ANCYLOSTOMA CEYLANICUM COMPLEX WITH (25S)-CHOLESTENOIC ACID ANCYLOSTOMA CEYLANICUM LIGAND BINDING DOMAIN NEMATODE STEROID BINDING PROTEIN- TRANSCRIPTION COMPLEX
Ref.: STRUCTURAL CONSERVATION OF LIGAND BINDING REVEALS A ACID-LIKE SIGNALING PATHWAY IN NEMATODES. J.BIOL.CHEM. V. 287 4894 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA 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 426 families.
1 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA 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 322 families.
1 3UP0 - D7S C27 H42 O3 C[C@H](CCC....
2 3UP3 - XCA C27 H42 O3 C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: D7S; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DL7 1 1
2 D7S 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: D7S; Similar ligands found: 13
No: Ligand Similarity coefficient
1 XCA 0.9656
2 DL4 0.9581
3 HC3 0.9457
4 CLR 0.9361
5 K2B 0.9358
6 5JK 0.9255
7 ERG 0.9213
8 TH2 0.8945
9 HCR 0.8923
10 LAN 0.8861
11 0T9 0.8838
12 98H 0.8618
13 4D8 0.8555
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UP3; Ligand: XCA; 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: 3up3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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