Receptor
PDB id Resolution Class Description Source Keywords
2Z9Z 1.74 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CERT START DOMAIN(N504A MUTANT), IN COMPLEX WITH C10-DIACYLGLYCEROL HOMO SAPIENS LIPID TRANSFER PROTEIN CERT CERAMIDE TRANSFER LIPID TRANSPORT
Ref.: STRUCTURAL BASIS FOR SPECIFIC LIPID RECOGNITION BY CERT RESPONSIBLE FOR NONVESICULAR TRAFFICKING OF CERAMIDE. PROC.NATL.ACAD.SCI.USA V. 105 488 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DDR A:1;
 Valid;
 none;
 submit data
400.592 C23 H44 O5 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E3N 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH C6- CERAMIDE (P212121) HOMO SAPIENS LIPID TRANSFER PROTEIN CERT CERAMIDE TRANSFER LIPID TRANSPORT
Ref.: STRUCTURAL BASIS FOR SPECIFIC LIPID RECOGNITION BY CERT RESPONSIBLE FOR NONVESICULAR TRAFFICKING OF CERAMIDE. PROC.NATL.ACAD.SCI.USA V. 105 488 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3H3R - 14H C24 H41 N O3 CCCCCCCCCC....
2 2E3R - 18C C36 H71 N O3 CCCCCCCCCC....
3 3H3S - H15 C25 H43 N O3 CCCCCCCCCC....
4 2E3P - 16C C34 H67 N O3 CCCCCCCCCC....
5 2Z9Y - DDR C23 H44 O5 CCCCCCCCCC....
6 3H3Q - H13 C23 H39 N O3 CCCCCCCCCC....
7 2Z9Z - DDR C23 H44 O5 CCCCCCCCCC....
8 2E3N - 6CM C24 H47 N O3 CCCCCCCCCC....
9 2E3O - 16C C34 H67 N O3 CCCCCCCCCC....
10 3H3T - 16H C26 H45 N O3 CCCCCCCCCC....
11 2E3Q - 18C C36 H71 N O3 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DDR; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 L2C 1 1
2 DDR 1 1
3 DGA 1 1
4 FAW 1 1
5 1EM 1 1
6 LBR 0.86 0.909091
7 TGL 0.744681 0.875
8 2JT 0.711111 0.878788
9 G2A 0.711111 0.878788
10 BQ9 0.688525 0.96875
11 7PH 0.631579 0.697674
12 F57 0.631579 0.697674
13 6PH 0.631579 0.697674
14 LPP 0.631579 0.697674
15 3PH 0.631579 0.697674
16 PX8 0.62069 0.714286
17 PX2 0.62069 0.714286
18 7P9 0.62069 0.697674
19 GYM 0.62 0.852941
20 1QW 0.62 0.852941
21 EKG 0.62 0.852941
22 PA8 0.603448 0.714286
23 8ND 0.603448 0.707317
24 LHG 0.59375 0.704545
25 PGT 0.59375 0.704545
26 M7U 0.569231 0.697674
27 PG8 0.569231 0.704545
28 PD7 0.568965 0.697674
29 CD4 0.5625 0.697674
30 PTY 0.553846 0.607843
31 CDL 0.553846 0.690476
32 8PE 0.553846 0.607843
33 PEV 0.553846 0.607843
34 3PE 0.553846 0.607843
35 PEH 0.553846 0.607843
36 PEF 0.553846 0.607843
37 D21 0.545455 0.681818
38 9PE 0.545455 0.607843
39 PCJ 0.542857 0.638298
40 56S 0.541667 0.606061
41 AGA 0.529412 0.704545
42 OLC 0.525424 0.828571
43 OLB 0.525424 0.828571
44 D3D 0.520548 0.688889
45 PGW 0.520548 0.688889
46 PII 0.514286 0.612245
47 DR9 0.513514 0.688889
48 PGV 0.513514 0.688889
49 44E 0.508475 0.697674
50 P6L 0.506667 0.688889
51 PGK 0.506667 0.659574
52 CN3 0.5 0.697674
53 OZ2 0.5 0.688889
54 MVC 0.5 0.828571
55 NKO 0.491525 0.659091
56 NKN 0.491525 0.659091
57 DGG 0.487179 0.659574
58 P3A 0.487179 0.688889
59 44G 0.484848 0.704545
60 PGM 0.484375 0.681818
61 78M 0.483333 0.828571
62 78N 0.483333 0.828571
63 PIF 0.479452 0.6
64 PVC 0.47541 0.717949
65 DAO FTT 0.474576 0.75
66 PIZ 0.473684 0.612245
67 CN6 0.472222 0.697674
68 1WV 0.466667 0.828571
69 CUY 0.461538 0.677419
70 CNS 0.461538 0.677419
71 6UL 0.461538 0.677419
72 IP9 0.460526 0.612245
73 52N 0.460526 0.6
74 PIO 0.460526 0.6
75 1O2 0.45679 0.704545
76 B7N 0.455696 0.6
77 DGD 0.451219 0.688889
78 3TF 0.451219 0.704545
79 NKP 0.426471 0.644444
80 T80 0.416667 0.757576
81 PJZ 0.416667 0.787879
82 1L2 0.41573 0.704545
83 TWN 0.411765 0.657895
84 T7X 0.402299 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: DDR; 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 : 2E3N; Ligand: 6CM; 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: 2e3n.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback