Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT C:302;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
EQY C:301;
A:301;
Valid;
Valid;
none;
none;
Kd = 2.4 uM
367.309 C18 H11 F2 N5 O2 COC(=...
GOL B:101;
B:102;
A:305;
A:304;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG A:302;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
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 301 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 221 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
Ligand no: 1; Ligand: EQY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 EQY 1 1
2 ER7 0.41573 0.877193
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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