Receptor
PDB id Resolution Class Description Source Keywords
1W6J 2.2 Å EC: 5.4.99.7 STRUCTURE OF HUMAN OSC IN COMPLEX WITH RO 48-8071 HOMO SAPIENS CYCLASE CHOLESTEROL LANOSTEROL MONOTOPIC MEMBRANE PROTEIN B-OCTYL-GLUCOSIDE ISOMERASE STEROID BIOSYNTHESIS
Ref.: INSIGHT INTO STEROID SCAFFOLD FORMATION FROM THE STRUCTURE OF HUMAN OXIDOSQUALENE CYCLASE NATURE V. 432 118 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:1734;
A:1736;
A:1737;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
C14 A:1735;
Invalid;
none;
submit data
198.388 C14 H30 CCCCC...
R71 A:1733;
Valid;
none;
submit data
448.368 C23 H27 Br F N O2 C[N@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W6K 2.1 Å EC: 5.4.99.7 STRUCTURE OF HUMAN OSC IN COMPLEX WITH LANOSTEROL HOMO SAPIENS CYCLASE CHOLESTEROL LANOSTEROL MONOTOPIC MEMBRANE PROTEIN B-OCTYL-GLUCOSIDE ISOMERASE STEROID BIOSYNTHESIS
Ref.: INSIGHT INTO STEROID SCAFFOLD FORMATION FROM THE STRUCTURE OF HUMAN OXIDOSQUALENE CYCLASE NATURE V. 432 118 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W6J - R71 C23 H27 Br F N O2 C[N@@](CCC....
2 1W6K - LAN C30 H50 O 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 1 families.
1 1W6J - R71 C23 H27 Br F N O2 C[N@@](CCC....
2 1W6K - LAN C30 H50 O 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 1 families.
1 1W6J - R71 C23 H27 Br F N O2 C[N@@](CCC....
2 1W6K - LAN C30 H50 O C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: R71; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 R71 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W6K; Ligand: LAN; 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: 1w6k.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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