Receptor
PDB id Resolution Class Description Source Keywords
6C98 1.85 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF FCRN BOUND TO UCB-84 HOMO SAPIENS NEONATAL FC RECEPTOR FCRN INHIBITOR BETA 2 MICROGLOBULINIMMUNE SYSTEM
Ref.: INSIGHT INTO SMALL MOLECULE BINDING TO THE NEONATAL RECEPTOR BY X-RAY CRYSTALLOGRAPHY AND 100 KHZ MAGIC-ANGLE-SPINNING NMR. PLOS BIOL. V. 16 06192 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:102;
D:102;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
PEG B:103;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
CYS A:301;
C:301;
 Invalid;
Invalid;
 none;
none;
 submit data
121.158 C3 H7 N O2 S C([C@...
ER7 D:101;
B:101;
 Valid;
Valid;
 none;
none;
 Kd ~ 80 uM
270.262 C14 H11 F N4 O Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C99 2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF FCRN BOUND TO UCB-303 HOMO SAPIENS NEONATAL FC RECEPTOR FCRN INHIBITOR BETA 2 MICROGLOBULINIMMUNE SYSTEM
Ref.: INSIGHT INTO SMALL MOLECULE BINDING TO THE NEONATAL RECEPTOR BY X-RAY CRYSTALLOGRAPHY AND 100 KHZ MAGIC-ANGLE-SPINNING NMR. PLOS BIOL. V. 16 06192 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6C99 Kd = 2.4 uM EQY C18 H11 F2 N5 O2 COC(=O)c1c....
2 6C98 Kd ~ 80 uM ER7 C14 H11 F N4 O Cc1c(c(n2c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6C99 Kd = 2.4 uM EQY C18 H11 F2 N5 O2 COC(=O)c1c....
2 6C98 Kd ~ 80 uM ER7 C14 H11 F N4 O Cc1c(c(n2c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6C99 Kd = 2.4 uM EQY C18 H11 F2 N5 O2 COC(=O)c1c....
2 6C98 Kd ~ 80 uM ER7 C14 H11 F N4 O Cc1c(c(n2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ER7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ER7 1 1
2 EQY 0.41573 0.877193
Similar Ligands (3D)
Ligand no: 1; Ligand: ER7; Similar ligands found: 7
No: Ligand Similarity coefficient
1 JVE 0.9321
2 2AN 0.8935
3 KZ9 0.8741
4 JSN 0.8694
5 29Q 0.8622
6 SRE 0.8614
7 TQL 0.8551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C99; Ligand: EQY; 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: 6c99.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6C99; Ligand: EQY; 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: 6c99.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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