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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 286 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 209 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 174 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: 55
This union binding pocket(no: 1) in the query (biounit: 6c99.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 2NLQ GLY None
3 4DDY DN6 3.04183
4 1QH9 LAC 4.0404
5 2W9S TOP 4.34783
6 1SW1 PBE 5.05051
7 2E5A LAQ 5.05051
8 2DXU BT5 5.05051
9 3PUR 2HG 5.10949
10 3ITA AIC 5.10949
11 2XG5 EC5 5.20231
12 2XG5 EC2 5.20231
13 1A0J BEN 5.38117
14 4NTO 1PW 5.7971
15 2VDF OCT 6.06061
16 4B4Q A2G GAL NAG FUC GAL GLC 6.06061
17 3CBC DBS 6.06061
18 5MUL BDP 6.06061
19 5NGZ 2BG 6.06061
20 2Y6Q I7T 6.56934
21 5Z5I XYP 7.07071
22 2ZUX RAM 7.07071
23 3KV5 OGA 7.07071
24 3OCP CMP 7.07071
25 3A7R LAQ 7.66423
26 3NZ1 3NY 8.04598
27 1PDZ PGA 8.08081
28 1RJW ETF 8.08081
29 3AVR OGA 8.08081
30 6GNO XDI 8.14815
31 1PIG BGC 9.09091
32 5D9G GLU ASN LEU TYR PHE GLN 9.09091
33 1OFL NGK GCD 10.101
34 5W8X UDP 10.101
35 6E1Q CFA 10.101
36 5LY1 PPI 10.101
37 4GYW UDP 11.1111
38 1NXJ GLV 11.4754
39 1PN0 IPH 12.1212
40 1PN0 FAD 12.1212
41 4ZM4 PLP 12.1212
42 5U19 827 12.7737
43 5U19 SAH 12.7737
44 1MZC SUC 13.1313
45 3FSY SCA 13.5542
46 1QKQ MAN 14.0845
47 5F6U 5VK 14.1414
48 1FMB HYB 15.3846
49 2P7Q GG6 17.1717
50 2G30 ALA ALA PHE 18.1818
51 4GN8 ASO 19.1919
52 3TD3 GLY 20.3252
53 3VMG 9CA 22.6087
54 43CA NPO 25.2525
55 4OYA 1VE 36.3636
Pocket No.: 2; Query (leader) PDB : 6C99; Ligand: EQY; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 6c99.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 5A89 FMN 2.0202
3 5A89 ADP 2.0202
4 1UYY BGC BGC 5.05051
5 6ARJ SAH 6.06061
6 6ARJ BW4 6.06061
7 5TP0 BRN 7.58929
8 3R9C ECL 8.08081
9 4B2D SER 9.09091
10 4X3R 686 11.6788
11 2XIB DFU 12.1212
12 1T36 ORN 12.1212
13 5IM3 DTP 18.1818
14 2JCB ADP 23.2323
15 5DYO FLU 37.3737
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