Receptor
PDB id Resolution Class Description Source Keywords
1ZHT 1.9 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH 7-HYDROXYCHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROL STEROL BINDING PROTEIN CHOLESTEROL LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCR A:1001;
Valid;
none;
submit data
402.653 C27 H46 O2 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZHX 1.5 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH 25-HYDROXYCHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROLSTEROL BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HCR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 5JK 1 1
2 HCR 1 1
3 CLR 0.573034 0.921053
4 HC3 0.453608 1
5 C3S 0.431373 0.614035
6 K2B 0.40404 0.794872
Similar Ligands (3D)
Ligand no: 1; Ligand: HCR; Similar ligands found: 15
No: Ligand Similarity coefficient
1 ERG 0.9612
2 HC2 0.9535
3 HCD 0.9354
4 XCA 0.9270
5 HC9 0.9250
6 2DC 0.9236
7 L39 0.9184
8 0T9 0.9133
9 TH2 0.9120
10 DL7 0.9045
11 98H 0.9011
12 D7S 0.8923
13 DL4 0.8913
14 4OA 0.8868
15 LAN 0.8720
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZHX; Ligand: HC3; 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: 1zhx.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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