Receptor
PDB id Resolution Class Description Source Keywords
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1. CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P6L A:100;
Valid;
none;
submit data
746.991 C40 H75 O10 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1. CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5SYZ - 71W C28 H34 O CCCCCCC1=C....
2 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
3 5L11 - RJW C28 H34 O CCCCCCC1=C....
4 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
5 3PLZ - 470 C28 H35 N CCC/C=C(CC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P6L; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 P6L 1 1
2 OZ2 0.985915 1
3 D3D 0.971429 1
4 PGW 0.971429 1
5 DR9 0.957747 1
6 PGV 0.957747 1
7 PGT 0.842857 0.977778
8 LHG 0.842857 0.977778
9 LOP 0.75641 0.830189
10 6OU 0.75641 0.830189
11 L9Q 0.75641 0.830189
12 P50 0.740741 0.826923
13 CD4 0.739726 0.933333
14 44G 0.736111 0.977778
15 PGK 0.728395 0.916667
16 PCW 0.728395 0.706897
17 D21 0.72 0.913043
18 ZPE 0.716049 0.830189
19 P3A 0.702381 0.956522
20 DGG 0.702381 0.916667
21 B7N 0.670588 0.843137
22 GP7 0.666667 0.830189
23 CN3 0.666667 0.933333
24 PSC 0.651685 0.706897
25 CN6 0.641975 0.933333
26 PEF 0.641026 0.811321
27 8PE 0.641026 0.811321
28 PTY 0.641026 0.811321
29 PEV 0.641026 0.811321
30 PEH 0.641026 0.811321
31 P5S 0.6375 0.826923
32 9PE 0.632911 0.811321
33 PEE 0.632911 0.796296
34 PEK 0.625 0.830189
35 HGP 0.617284 0.689655
36 PLD 0.617284 0.689655
37 LIO 0.617284 0.689655
38 PC7 0.617284 0.689655
39 6PL 0.617284 0.689655
40 HGX 0.617284 0.689655
41 PIE 0.606742 0.788462
42 3PH 0.6 0.891304
43 7PH 0.6 0.891304
44 LPP 0.6 0.891304
45 6PH 0.6 0.891304
46 F57 0.6 0.891304
47 7P9 0.592105 0.891304
48 PX8 0.592105 0.869565
49 PX2 0.592105 0.869565
50 S12 0.588235 0.826923
51 POV 0.58427 0.666667
52 L9R 0.58427 0.666667
53 EPH 0.583333 0.830189
54 OLB 0.581081 0.733333
55 OLC 0.581081 0.733333
56 AGA 0.578313 0.934783
57 XP5 0.573171 0.689655
58 PII 0.564706 0.823529
59 42H 0.563218 0.741379
60 CDL 0.560976 0.847826
61 MVC 0.56 0.733333
62 PD7 0.552632 0.891304
63 T7X 0.552083 0.843137
64 NKP 0.55 0.913043
65 PSF 0.548781 0.826923
66 78M 0.546667 0.733333
67 78N 0.546667 0.733333
68 PIZ 0.544444 0.788462
69 PCK 0.543478 0.655738
70 1O2 0.542553 0.618182
71 3TF 0.536842 0.618182
72 M7U 0.535714 0.891304
73 TGL 0.535211 0.644444
74 PIF 0.534091 0.807692
75 IP9 0.533333 0.788462
76 52N 0.516484 0.807692
77 PIO 0.516484 0.807692
78 3PE 0.511628 0.735849
79 DDR 0.506667 0.688889
80 DGA 0.506667 0.688889
81 FAW 0.506667 0.688889
82 L2C 0.506667 0.688889
83 44E 0.506494 0.891304
84 DLP 0.505155 0.666667
85 1L2 0.5 0.618182
86 PDK 0.495146 0.704918
87 PC1 0.483146 0.649123
88 MC3 0.483146 0.649123
89 PCF 0.483146 0.649123
90 GGD 0.476636 0.625
91 LBR 0.463415 0.638298
92 LAP 0.45977 0.724138
93 LPC 0.45977 0.724138
94 LP3 0.45977 0.724138
95 GYM 0.459459 0.711111
96 1QW 0.459459 0.711111
97 PGM 0.452381 0.913043
98 NKO 0.4375 0.891304
99 NKN 0.4375 0.891304
100 SQD 0.428571 0.630769
101 G2A 0.424658 0.652174
102 2JT 0.424658 0.652174
103 CN5 0.422222 0.913043
104 DGD 0.417476 0.607143
105 OPC 0.401961 0.694915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YOK; Ligand: P6L; 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: 1yok.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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