Receptor
PDB id Resolution Class Description Source Keywords
3HIG 2.09 Å EC: 1.4.3.22 CRYSTAL STRUCTURE OF HUMAN DIAMINE OXIDASE IN COMPLEX WITH T INHIBITOR BERENIL HOMO SAPIENS OXIDOREDUCTASE COPPER AMINE OXIDASE TOPAQUINONE TPQ DIAMOXIDASE DAO HUMAN BERENIL DIMINAZENE GLYCOPROTEIN HEPBINDING METAL-BINDING SECRETED
Ref.: STRUCTURE AND INHIBITION OF HUMAN DIAMINE OXIDASE BIOCHEMISTRY V. 48 9810 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRN A:901;
B:901;
Valid;
Valid;
none;
none;
Ki = 13 nM
281.316 C14 H15 N7 c1cc(...
CA A:802;
A:803;
B:802;
B:803;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CU A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
GOL A:804;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG NAG F:1;
H:1;
G:1;
D:1;
E:1;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA C:1;
Part of Protein;
none;
submit data
570.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HIG 2.09 Å EC: 1.4.3.22 CRYSTAL STRUCTURE OF HUMAN DIAMINE OXIDASE IN COMPLEX WITH T INHIBITOR BERENIL HOMO SAPIENS OXIDOREDUCTASE COPPER AMINE OXIDASE TOPAQUINONE TPQ DIAMOXIDASE DAO HUMAN BERENIL DIMINAZENE GLYCOPROTEIN HEPBINDING METAL-BINDING SECRETED
Ref.: STRUCTURE AND INHIBITION OF HUMAN DIAMINE OXIDASE BIOCHEMISTRY V. 48 9810 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
2 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
2 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PNC Ki = 466 uM CLU C9 H9 Cl2 N3 c1cc(c(c(c....
2 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
3 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BRN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BRN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BRN; Similar ligands found: 62
No: Ligand Similarity coefficient
1 PT1 0.9325
2 OBI 0.9213
3 78H 0.9193
4 GP6 0.9123
5 J2Q 0.9082
6 HCC 0.9064
7 B4N 0.9028
8 2ZT 0.8973
9 0VN 0.8959
10 INV 0.8941
11 678 0.8940
12 ZQC 0.8925
13 BAK 0.8910
14 J2W 0.8908
15 8VJ 0.8901
16 QTH 0.8901
17 BUN 0.8885
18 6ZM 0.8845
19 WWZ 0.8843
20 JOQ 0.8834
21 BAI 0.8821
22 01I 0.8815
23 797 0.8813
24 JZJ 0.8809
25 BAB 0.8808
26 D6X 0.8788
27 G50 0.8783
28 JV8 0.8778
29 4WA 0.8771
30 INW 0.8763
31 IYX 0.8747
32 M8J 0.8743
33 80R 0.8741
34 0J6 0.8734
35 J8Y 0.8729
36 BPM 0.8723
37 4KN 0.8717
38 ORJ 0.8715
39 4P9 0.8697
40 UDY 0.8686
41 WDX 0.8684
42 EWT 0.8680
43 F2B 0.8679
44 WDU 0.8673
45 946 0.8671
46 A9E 0.8666
47 675 0.8666
48 17W 0.8666
49 FFB 0.8664
50 MBT 0.8640
51 SBW 0.8636
52 IOF 0.8633
53 M87 0.8633
54 4VR 0.8627
55 7BJ 0.8626
56 JPW 0.8591
57 AYX 0.8558
58 3RM 0.8547
59 F70 0.8545
60 3GG 0.8529
61 X8W 0.8523
62 SUA 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HIG; Ligand: BRN; 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: 3hig.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HIG; Ligand: BRN; 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: 3hig.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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