Receptor
PDB id Resolution Class Description Source Keywords
6IZF 2 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR ACTIVITY OF TRIC COUNTER-ION CHANNELS I RELEASE GALLUS GALLUS TRIC CATION CHANNEL MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS FOR ACTIVITY OF TRIC COUNTER-ION C IN CALCIUM RELEASE. PROC.NATL.ACAD.SCI.USA V. 116 4238 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:406;
A:404;
A:402;
A:403;
A:405;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
BQ9 A:407;
 Valid;
 none;
 submit data
478.704 C29 H50 O5 CCCCC...
CA A:401;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IZF 2 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR ACTIVITY OF TRIC COUNTER-ION CHANNELS I RELEASE GALLUS GALLUS TRIC CATION CHANNEL MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS FOR ACTIVITY OF TRIC COUNTER-ION C IN CALCIUM RELEASE. PROC.NATL.ACAD.SCI.USA V. 116 4238 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6IZF - BQ9 C29 H50 O5 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6IZF - BQ9 C29 H50 O5 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6IZF - BQ9 C29 H50 O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BQ9; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 BQ9 1 1
2 FAW 0.688525 0.96875
3 DDR 0.688525 0.96875
4 DGA 0.688525 0.96875
5 L2C 0.688525 0.96875
6 1EM 0.688525 0.96875
7 LBR 0.617647 0.882353
8 PEK 0.583333 0.615385
9 T7X 0.544444 0.62
10 GP7 0.534091 0.615385
11 TGL 0.523077 0.848485
12 1AG 0.507042 0.857143
13 D21 0.506329 0.704545
14 ZPE 0.5 0.615385
15 G2A 0.492063 0.852941
16 2JT 0.492063 0.852941
17 D3D 0.488372 0.711111
18 PGW 0.488372 0.711111
19 F57 0.486486 0.681818
20 LPP 0.486486 0.681818
21 6PH 0.486486 0.681818
22 3PH 0.486486 0.681818
23 7PH 0.486486 0.681818
24 OLC 0.486111 0.857143
25 OLB 0.486111 0.857143
26 DR9 0.482759 0.711111
27 PGV 0.482759 0.711111
28 7P9 0.48 0.681818
29 PX8 0.48 0.697674
30 PX2 0.48 0.697674
31 P6L 0.477273 0.711111
32 LOP 0.476744 0.615385
33 L9Q 0.476744 0.615385
34 6OU 0.476744 0.615385
35 1L2 0.474227 0.727273
36 OZ2 0.47191 0.711111
37 RXY 0.471264 0.615385
38 LHG 0.469136 0.688889
39 PGT 0.469136 0.688889
40 PA8 0.466667 0.697674
41 MVC 0.465753 0.857143
42 1QW 0.462687 0.828571
43 EKG 0.462687 0.828571
44 GYM 0.462687 0.828571
45 P3A 0.461538 0.711111
46 78N 0.452055 0.857143
47 78M 0.452055 0.857143
48 M7U 0.451219 0.681818
49 PG8 0.451219 0.688889
50 EPH 0.44898 0.615385
51 8ND 0.447368 0.690476
52 CD4 0.444444 0.681818
53 PD7 0.44 0.681818
54 P50 0.43956 0.607843
55 CDL 0.439024 0.674419
56 1WV 0.438356 0.857143
57 PCJ 0.436782 0.625
58 B7N 0.434783 0.62
59 PIE 0.430108 0.6
60 NKP 0.425 0.666667
61 AGA 0.423529 0.688889
62 1O2 0.421053 0.727273
63 3TF 0.416667 0.727273
64 PII 0.413793 0.6
65 PGK 0.413043 0.645833
66 CN3 0.404494 0.681818
67 O18 0.402597 0.6
68 DGG 0.4 0.645833
69 NKN 0.4 0.644444
70 PGM 0.4 0.666667
71 NKO 0.4 0.644444
Similar Ligands (3D)
Ligand no: 1; Ligand: BQ9; 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 : 6IZF; Ligand: BQ9; 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: 6izf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6IZF; Ligand: BQ9; 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: 6izf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6IZF; Ligand: BQ9; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6izf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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