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(...
NDG NDG FU4 A:481;
Part of Protein;
none;
submit data n/a n/a n/a n/a
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...
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 1443 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 1205 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 1039 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: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 6PL 0.871429 0.981481
4 PC7 0.871429 0.981481
5 LIO 0.871429 0.981481
6 PLD 0.871429 0.981481
7 HGX 0.871429 0.981481
8 HGP 0.871429 0.981481
9 LOP 0.826667 0.79661
10 6OU 0.826667 0.79661
11 L9Q 0.826667 0.79661
12 XP5 0.816901 0.981481
13 ZPE 0.782051 0.79661
14 L9R 0.7625 0.925926
15 POV 0.7625 0.925926
16 PCK 0.753086 0.929825
17 D3D 0.746835 0.706897
18 PGW 0.746835 0.706897
19 DR9 0.7375 0.706897
20 PGV 0.7375 0.706897
21 P6L 0.728395 0.706897
22 GP7 0.72619 0.79661
23 42H 0.721519 0.964286
24 D21 0.72 0.732143
25 OZ2 0.719512 0.706897
26 P50 0.719512 0.762712
27 PEF 0.706667 0.779661
28 PTY 0.706667 0.779661
29 PEV 0.706667 0.779661
30 PEH 0.706667 0.779661
31 8PE 0.706667 0.779661
32 9PE 0.697368 0.779661
33 PEK 0.682353 0.79661
34 PEE 0.675325 0.79661
35 B7N 0.670588 0.66129
36 DLP 0.659091 0.925926
37 MC3 0.65 0.907407
38 PC1 0.65 0.907407
39 PCF 0.65 0.907407
40 CD4 0.649351 0.714286
41 EPH 0.634409 0.79661
42 LHG 0.632911 0.689655
43 PGT 0.632911 0.689655
44 PIE 0.625 0.645161
45 P5S 0.617284 0.733333
46 LPC 0.607595 0.946429
47 LP3 0.607595 0.946429
48 LAP 0.607595 0.946429
49 P3A 0.606742 0.706897
50 3PH 0.6 0.714286
51 7PH 0.6 0.714286
52 6PH 0.6 0.714286
53 LPP 0.6 0.714286
54 F57 0.6 0.714286
55 7P9 0.592105 0.714286
56 PX2 0.592105 0.759259
57 PX8 0.592105 0.759259
58 CN3 0.588235 0.714286
59 OPC 0.571429 0.981818
60 PII 0.564706 0.645161
61 CN6 0.564706 0.714286
62 PIZ 0.561798 0.645161
63 PGK 0.555556 0.655738
64 PD7 0.552632 0.714286
65 T7X 0.552083 0.66129
66 PIF 0.551724 0.634921
67 IP9 0.550562 0.645161
68 3PE 0.547619 0.741379
69 44G 0.54321 0.689655
70 CDL 0.542169 0.709091
71 3XU 0.537634 0.825397
72 DGG 0.537634 0.655738
73 M7U 0.535714 0.714286
74 PIO 0.533333 0.634921
75 52N 0.533333 0.634921
76 PSF 0.53012 0.733333
77 43Y 0.525641 0.944444
78 S12 0.516854 0.733333
79 NKP 0.512195 0.701754
80 PDK 0.509804 0.765625
81 44E 0.506494 0.714286
82 PC5 0.5 0.810345
83 SPU 0.5 0.819672
84 8ND 0.5 0.603448
85 AGA 0.488636 0.689655
86 3PC 0.477273 0.888889
87 LPE 0.418605 0.892857
88 CN5 0.406593 0.732143
89 NKN 0.402439 0.684211
90 NKO 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: PCW; 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 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; 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: 4) in the query (biounit: 2obd.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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