Receptor
PDB id Resolution Class Description Source Keywords
6GMN 1.94 Å NON-ENZYME: OTHER PVHL:ELOB:ELOC IN COMPLEX WITH METHYL 4H-FURO[3,2-B]PYRROLE- CARBOXYLATE HOMO SAPIENS E3 UBIQUITIN LIGASE TUMOR SUPRESSOR PROTAC FRAGMENT-BASEDDISCOVERY ONCOPROTEIN
Ref.: SURFACE PROBING BY FRAGMENT-BASED SCREENING AND COMPUTATIONAL METHODS IDENTIFIES LIGANDABLE POCKETS VON HIPPEL-LINDAU (VHL) E3 UBIQUITIN LIGASE. J. MED. CHEM. V. 61 7387 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT F:301;
C:301;
A:201;
I:301;
L:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
F4E B:201;
K:201;
Valid;
Valid;
none;
none;
submit data
165.146 C8 H7 N O3 COC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GMN 1.94 Å NON-ENZYME: OTHER PVHL:ELOB:ELOC IN COMPLEX WITH METHYL 4H-FURO[3,2-B]PYRROLE- CARBOXYLATE HOMO SAPIENS E3 UBIQUITIN LIGASE TUMOR SUPRESSOR PROTAC FRAGMENT-BASEDDISCOVERY ONCOPROTEIN
Ref.: SURFACE PROBING BY FRAGMENT-BASED SCREENING AND COMPUTATIONAL METHODS IDENTIFIES LIGANDABLE POCKETS VON HIPPEL-LINDAU (VHL) E3 UBIQUITIN LIGASE. J. MED. CHEM. V. 61 7387 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 6GMN - F4E C8 H7 N O3 COC(=O)c1c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 6GMN - F4E C8 H7 N O3 COC(=O)c1c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 6GMN - F4E C8 H7 N O3 COC(=O)c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F4E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 F4E 1 1
2 4P5 0.568182 0.8125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GMN; Ligand: F4E; 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: 6gmn.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GMN; Ligand: F4E; 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: 6gmn.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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