Receptor
PDB id Resolution Class Description Source Keywords
3V1S 2.33 Å EC: 4.3.3.2 SCAFFOLD TAILORING BY A NEWLY DETECTED PICTET-SPENGLERASE AC STRICTOSIDINE SYNTHASE (STR1): FROM THE COMMON TRYP-TOLINE T O THE RARE PIPERAZINO-INDOLE FRAMEWORK RAUVOLFIA SERPENTINA STRICTOSIDINE SYNTHASE ALKALOID BIOSYNTHESIS STRICTOSIDINEFAMILY LYASE
Ref.: SCAFFOLD TAILORING BY A NEWLY DETECTED PICTET-SPENG ACTIVITY OF STRICTOSIDINE SYNTHASE: FROM THE COMMON TRYPTOLINE SKELETON TO THE RARE PIPERAZINO-INDOLE F J.AM.CHEM.SOC. V. 134 1498 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0LH A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
160.216 C10 H12 N2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V1S 2.33 Å EC: 4.3.3.2 SCAFFOLD TAILORING BY A NEWLY DETECTED PICTET-SPENGLERASE AC STRICTOSIDINE SYNTHASE (STR1): FROM THE COMMON TRYP-TOLINE T O THE RARE PIPERAZINO-INDOLE FRAMEWORK RAUVOLFIA SERPENTINA STRICTOSIDINE SYNTHASE ALKALOID BIOSYNTHESIS STRICTOSIDINEFAMILY LYASE
Ref.: SCAFFOLD TAILORING BY A NEWLY DETECTED PICTET-SPENG ACTIVITY OF STRICTOSIDINE SYNTHASE: FROM THE COMMON TRYPTOLINE SKELETON TO THE RARE PIPERAZINO-INDOLE F J.AM.CHEM.SOC. V. 134 1498 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V1S - 0LH C10 H12 N2 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V1S - 0LH C10 H12 N2 c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V1S - 0LH C10 H12 N2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0LH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0LH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V1S; Ligand: 0LH; 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: 3v1s.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V1S; Ligand: 0LH; 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: 3v1s.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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