Receptor
PDB id Resolution Class Description Source Keywords
4CPH 1.64 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4 STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN AVIDIN BIOTIN STRAIN BIOTINYLATEDCLASH STRAINED HINDERED FORCE LIGAND SERIES AFFINITY
Ref.: LOVE-HATE LIGANDS FOR HIGH RESOLUTION ANALYSIS OF S ULTRA-STABLE PROTEIN/SMALL MOLECULE INTERACTION. BIOORG.MED.CHEM. V. 22 5476 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LH4 B:1000;
C:1000;
 Valid;
Valid;
 none;
none;
 submit data
784.965 C36 H44 N6 O8 S3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CPH 1.64 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4 STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN AVIDIN BIOTIN STRAIN BIOTINYLATEDCLASH STRAINED HINDERED FORCE LIGAND SERIES AFFINITY
Ref.: LOVE-HATE LIGANDS FOR HIGH RESOLUTION ANALYSIS OF S ULTRA-STABLE PROTEIN/SMALL MOLECULE INTERACTION. BIOORG.MED.CHEM. V. 22 5476 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LH4; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 LH4 1 1
2 LH3 0.68932 0.7
3 LUV 0.465517 0.639535
4 6IR 0.431034 0.804598
5 KYS 0.427419 0.730769
6 5IR 0.425 0.793478
7 BNI 0.410714 0.619565
Similar Ligands (3D)
Ligand no: 1; Ligand: LH4; 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 : 4CPH; Ligand: LH4; 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: 4cph.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CPH; Ligand: LH4; 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: 4cph.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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