Receptor
PDB id Resolution Class Description Source Keywords
5KZY 2.48 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE XENOPUS SMOOTHENED CYSTEINE-RICH DO IN COMPLEX WITH CYCLOPAMINE XENOPUS LAEVIS HEDGEHOG SIGNALING GPCR CYSTEINE-RICH DOMAIN STEROL SIGNPROTEIN
Ref.: CELLULAR CHOLESTEROL DIRECTLY ACTIVATES SMOOTHENED HEDGEHOG SIGNALING. CELL V. 166 1176 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CY8 B:1201;
A:1201;
 Valid;
Valid;
 none;
none;
 submit data
411.62 C27 H41 N O2 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KZV 1.62 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE XENOPUS SMOOTHENED CYSTEINE-RICH DO IN COMPLEX WITH 20(S)-HYDROXYCHOLESTEROL XENOPUS LAEVIS HEDGEHOG SIGNALING GPCR CYSTEINE-RICH DOMAIN STEROL SIGNPROTEIN
Ref.: CELLULAR CHOLESTEROL DIRECTLY ACTIVATES SMOOTHENED HEDGEHOG SIGNALING. CELL V. 166 1176 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5KZY - CY8 C27 H41 N O2 C[C@H]1C[C....
2 5KZV - HCD C27 H46 O2 CC(C)CCC[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CY8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CY8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CY8; Similar ligands found: 1
No: Ligand Similarity coefficient
1 1VF 0.8818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KZV; Ligand: HCD; 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: 5kzv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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