Receptor
PDB id Resolution Class Description Source Keywords
6HR2 1.76 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF PROTAC 2 IN COMPLEX WITH THE BROMODOMAI SMARCA4 AND PVHL:ELONGINC:ELONGINB HOMO SAPIENS BROMODOMAIN BRG1 SMARCA4 PROTAC VHL TERNARY COMPLEX TRANSCRIPTION
Ref.: BAF COMPLEX VULNERABILITIES IN CANCER DEMONSTRATED STRUCTURE-BASED PROTAC DESIGN. NAT.CHEM.BIOL. V. 15 672 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FWZ F:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
920.105 C49 H58 F N9 O6 S Cc1c(...
EDO F:302;
H:201;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
DMS B:302;
E:1601;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HR2 1.76 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF PROTAC 2 IN COMPLEX WITH THE BROMODOMAI SMARCA4 AND PVHL:ELONGINC:ELONGINB HOMO SAPIENS BROMODOMAIN BRG1 SMARCA4 PROTAC VHL TERNARY COMPLEX TRANSCRIPTION
Ref.: BAF COMPLEX VULNERABILITIES IN CANCER DEMONSTRATED STRUCTURE-BASED PROTAC DESIGN. NAT.CHEM.BIOL. V. 15 672 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6HR2 - FWZ C49 H58 F N9 O6 S Cc1c(scn1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6GMR - F4K C11 H11 N O c1ccn(c1)c....
2 4B9K Ki = 0.67 uM TG0 C24 H26 N4 O3 S Cc1c(cccc1....
3 4BKS Kd = 150 uM X6C C17 H19 N3 O4 CC(=O)N1C[....
4 6HR2 - FWZ C49 H58 F N9 O6 S Cc1c(scn1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6GMR - F4K C11 H11 N O c1ccn(c1)c....
2 4B9K Ki = 0.67 uM TG0 C24 H26 N4 O3 S Cc1c(cccc1....
3 4BKS Kd = 150 uM X6C C17 H19 N3 O4 CC(=O)N1C[....
4 6HR2 - FWZ C49 H58 F N9 O6 S Cc1c(scn1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FWZ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FWZ 1 1
2 FX8 0.811321 0.988506
3 4YY 0.480769 0.802326
4 6Z3 0.414634 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: FWZ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HR2; Ligand: FWZ; 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: 6hr2.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6HR2; Ligand: FWZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6hr2.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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