Receptor
PDB id Resolution Class Description Source Keywords
6qba 1.8 Å EC: 3.1.27.- CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4) IN COM NON-RETINOID LIGAND A1120 AND ENGINEERED BINDING SCAFFOLD HOMO SAPIENS LIPOCALIN RBP4 RETINOL BINDING PROTEIN TRANSPORT PROTEIN
Ref.: A CONFORMATION-SPECIFIC ON-SWITCH FOR CONTROLLING C CELLS WITH AN ORALLY AVAILABLE DRUG. PROC.NATL.ACAD.SCI.USA V. 117 14926 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2T1 A:201;
 Valid;
 none;
 submit data
392.372 C20 H19 F3 N2 O3 c1ccc...
IMD A:205;
A:204;
A:202;
A:206;
A:203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
69.085 C3 H5 N2 c1c[n...
ZN A:210;
A:208;
A:209;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
65.409 Zn [Zn+2...
ACT B:101;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
PEG A:207;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QBA 1.8 Å EC: 3.1.27.- CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4) IN COM NON-RETINOID LIGAND A1120 AND ENGINEERED BINDING SCAFFOLD HOMO SAPIENS LIPOCALIN RBP4 RETINOL BINDING PROTEIN TRANSPORT PROTEIN
Ref.: A CONFORMATION-SPECIFIC ON-SWITCH FOR CONTROLLING C CELLS WITH AN ORALLY AVAILABLE DRUG. PROC.NATL.ACAD.SCI.USA V. 117 14926 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6QBA - 2T1 C20 H19 F3 N2 O3 c1ccc(c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6QBA - 2T1 C20 H19 F3 N2 O3 c1ccc(c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6QBA - 2T1 C20 H19 F3 N2 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2T1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2T1 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2T1; 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 : 6QBA; Ligand: 2T1; 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: 6qba.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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