Receptor
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 PROTEINOCTYL-GLUCOSIDE ISOMERASE STEROID BIOSYNTHESIS
Ref.: INSIGHT INTO STEROID SCAFFOLD FORMATION FROM THE ST 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:1732;
A:1733;
A:1734;
A:1735;
A:1736;
A:1737;
A:1738;
A:1739;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
292.369 C14 H28 O6 CCCCC...
LAN A:1740;
 Valid;
 none;
 submit data
426.717 C30 H50 O C[C@H...
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 PROTEINOCTYL-GLUCOSIDE ISOMERASE STEROID BIOSYNTHESIS
Ref.: INSIGHT INTO STEROID SCAFFOLD FORMATION FROM THE ST 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 (2D)
Ligand no: 1; Ligand: LAN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 LAN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: LAN; Similar ligands found: 16
No: Ligand Similarity coefficient
1 98H 0.9328
2 4D8 0.9223
3 CLR 0.9047
4 K2B 0.9044
5 HC3 0.8991
6 5JK 0.8957
7 ERG 0.8887
8 TH2 0.8878
9 HCD 0.8873
10 D7S 0.8861
11 DL7 0.8805
12 HCR 0.8720
13 XCA 0.8628
14 DL4 0.8626
15 0T9 0.8576
16 3T5 0.8564
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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