Receptor
PDB id Resolution Class Description Source Keywords
2OBD 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN HOMO SAPIENS CHOLESTERYL ESTER LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PRO REVEALS A LONG TUNNEL AND FOUR BOUND LIPID MOLECULE NAT.STRUCT.MOL.BIOL. V. 14 106 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:490;
A:491;
Invalid;
Invalid;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
2OB A:485;
A:486;
Valid;
Valid;
none;
none;
submit data
651.1 C45 H78 O2 CCCCC...
CL A:493;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EPE A:489;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
PCW A:487;
A:488;
Valid;
Valid;
none;
none;
submit data
787.121 C44 H85 N O8 P CCCCC...
PG4 A:492;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
NAG NDG FUC B:1;
Part of Protein;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OBD 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN HOMO SAPIENS CHOLESTERYL ESTER LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PRO REVEALS A LONG TUNNEL AND FOUR BOUND LIPID MOLECULE NAT.STRUCT.MOL.BIOL. V. 14 106 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2OB; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 2OB 1 1
2 CLL 0.895238 1
3 Y01 0.72381 0.857143
4 CLR 0.560748 0.8
5 HC3 0.473684 0.785714
6 K2B 0.418803 0.864865
Ligand no: 2; Ligand: PCW; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 LIO 0.871429 0.981481
4 HGP 0.871429 0.981481
5 PLD 0.871429 0.981481
6 6PL 0.871429 0.981481
7 HGX 0.871429 0.981481
8 PX4 0.871429 0.981481
9 PC7 0.871429 0.981481
10 LOP 0.826667 0.79661
11 L9Q 0.826667 0.79661
12 6OU 0.826667 0.79661
13 XP5 0.816901 0.981481
14 ZPE 0.782051 0.79661
15 HXG 0.763889 0.981481
16 POV 0.7625 0.925926
17 L9R 0.7625 0.925926
18 PCK 0.753086 0.929825
19 PGW 0.746835 0.706897
20 D3D 0.746835 0.706897
21 PGV 0.7375 0.706897
22 DR9 0.7375 0.706897
23 P6L 0.728395 0.706897
24 GP7 0.72619 0.79661
25 42H 0.721519 0.964286
26 D21 0.72 0.732143
27 P50 0.719512 0.762712
28 OZ2 0.719512 0.706897
29 PEF 0.706667 0.779661
30 8PE 0.706667 0.779661
31 PTY 0.706667 0.779661
32 PEH 0.706667 0.779661
33 PEV 0.706667 0.779661
34 9PE 0.697368 0.779661
35 PEK 0.682353 0.79661
36 PEE 0.675325 0.79661
37 B7N 0.670588 0.66129
38 DLP 0.659091 0.925926
39 MC3 0.65 0.907407
40 PC1 0.65 0.907407
41 PCF 0.65 0.907407
42 CD4 0.649351 0.714286
43 EPH 0.634409 0.79661
44 LHG 0.632911 0.689655
45 PGT 0.632911 0.689655
46 PIE 0.625 0.645161
47 P5S 0.617284 0.733333
48 LPC 0.607595 0.946429
49 LP3 0.607595 0.946429
50 LAP 0.607595 0.946429
51 P3A 0.606742 0.706897
52 F57 0.6 0.714286
53 6PH 0.6 0.714286
54 7PH 0.6 0.714286
55 LPP 0.6 0.714286
56 3PH 0.6 0.714286
57 PX8 0.592105 0.759259
58 7P9 0.592105 0.714286
59 PX2 0.592105 0.759259
60 CN3 0.588235 0.714286
61 PA8 0.578947 0.759259
62 OPC 0.571429 0.981818
63 PII 0.564706 0.645161
64 CN6 0.564706 0.714286
65 PIZ 0.561798 0.645161
66 PGK 0.555556 0.655738
67 PD7 0.552632 0.714286
68 T7X 0.552083 0.66129
69 PIF 0.551724 0.634921
70 IP9 0.550562 0.645161
71 3PE 0.547619 0.741379
72 44G 0.54321 0.689655
73 CDL 0.542169 0.709091
74 DGG 0.537634 0.655738
75 3XU 0.537634 0.825397
76 M7U 0.535714 0.714286
77 PIO 0.533333 0.634921
78 52N 0.533333 0.634921
79 PSF 0.53012 0.733333
80 43Y 0.525641 0.944444
81 S12 0.516854 0.733333
82 NKP 0.512195 0.701754
83 PDK 0.509804 0.765625
84 44E 0.506494 0.714286
85 PC5 0.5 0.810345
86 8ND 0.5 0.603448
87 SPU 0.5 0.819672
88 AGA 0.488636 0.689655
89 3PC 0.477273 0.888889
90 LPE 0.418605 0.892857
91 FO4 0.415842 0.825397
92 CN5 0.406593 0.732143
93 NKO 0.402439 0.684211
94 NKN 0.402439 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OBD; Ligand: PCW; 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: 2obd.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OBD; Ligand: 2OB; 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: 2obd.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OBD; Ligand: 2OB; 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: 2obd.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OBD; Ligand: PCW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2obd.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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