Receptor
PDB id Resolution Class Description Source Keywords
1PZL 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HNF4A LBD IN COMPLEX WITH THE LIGAND AND THE COACTIVATOR SRC-1 PEPTIDE HOMO SAPIENS TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR HNF-4ALPHA ACTIVATION BY LIGAND AND COACTIVATOR BINDING J.BIOL.CHEM. V. 279 23311 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MYR A:500;
Valid;
none;
submit data
228.371 C14 H28 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PZL 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HNF4A LBD IN COMPLEX WITH THE LIGAND AND THE COACTIVATOR SRC-1 PEPTIDE HOMO SAPIENS TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR HNF-4ALPHA ACTIVATION BY LIGAND AND COACTIVATOR BINDING J.BIOL.CHEM. V. 279 23311 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1PZL - MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1PZL - MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1PZL - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PZL; Ligand: MYR; Similar sites found: 81
This union binding pocket(no: 1) in the query (biounit: 1pzl.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.002987 0.4477 None
2 5U98 1KX 0.03382 0.40877 1.68776
3 2OCI TYC 0.008127 0.42532 2.95359
4 5V4R MGT 0.01133 0.40351 3.08642
5 5M4Q PRO 0.01791 0.4018 3.37553
6 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03469 0.40921 3.79747
7 5LUN OGA 0.02002 0.40366 3.79747
8 2QE0 NAP 0.004937 0.43768 4.64135
9 3M0J OAF 0.006878 0.41778 4.64135
10 5BU2 RIB 0.007744 0.41435 4.64135
11 2XEM SSV 0.01521 0.40118 4.66667
12 1LN1 DLP 0.01923 0.4012 4.6729
13 4UCC ZKW 0.01117 0.43192 4.72103
14 3GUZ PAF 0.01565 0.40334 5.11364
15 3RV5 DXC 0.0004001 0.48119 5.61798
16 1UVC STE 0.006587 0.41775 6.59341
17 3IQE F42 0.01246 0.40885 6.71378
18 3IQE H4M 0.007597 0.40736 6.71378
19 5KOD IAC 0.009939 0.40926 6.75105
20 1QV1 CZH 0.01223 0.40541 7.17949
21 5EB3 UEG 0.00449 0.45337 7.54717
22 5L8N 6RQ 0.02244 0.40141 8.59375
23 3WBG 2AN 0.004868 0.41232 9.15033
24 3A8H TAY 0.009897 0.4089 9.17874
25 3LE7 ADE 0.01581 0.4117 10.5485
26 4RQL SNE 0.01172 0.41091 13.0802
27 3R9V DXC 0.01156 0.41974 13.9241
28 1DTL BEP 0.0007168 0.42833 14.346
29 3UP3 XCA 0.002776 0.42865 16.8776
30 3TL1 JRO 0.0114 0.41611 21.3836
31 4P6X HCY 0.00009149 0.48865 27.8481
32 4P6W MOF 0.0002532 0.43538 27.8481
33 2Q1H AS4 0.000007393 0.5342 28.692
34 1M2Z DEX 0.00005614 0.49801 29.1139
35 3BQD DAY 0.00006629 0.49713 29.1139
36 3VRV YSD 0.0008017 0.4816 29.1139
37 5GIC DLC 0.002535 0.4382 29.1139
38 3RY9 1CA 0.000002686 0.55057 29.5359
39 4LSJ LSJ 0.00001005 0.53349 29.5359
40 1NHZ 486 0.0009371 0.44799 29.5359
41 5G5W R8C 0.000103 0.42858 29.5359
42 3GN8 DEX 0.0000507 0.49996 29.9578
43 5UFS 1TA 0.00003512 0.4692 29.9578
44 4E2J MOF 0.0001703 0.44343 29.9578
45 2A3I C0R 0.000008267 0.53725 30.8017
46 5HCV 60R 0.000002604 0.53103 30.8017
47 5L7G 6QE 0.00000008606 0.62815 31.2236
48 4UDB CV7 0.000003117 0.49657 31.2236
49 3RUU 37G 0.001111 0.45314 31.2236
50 3DCT 064 0.0016 0.44112 31.2236
51 5ICK FEZ 0.00156 0.42394 31.2236
52 5APK 76E 0.00001252 0.54221 32.0675
53 4ZOM 4Q3 0.001801 0.42344 32.0675
54 5IXK 6EW 0.002556 0.41045 32.0675
55 1N46 PFA 0.01032 0.40601 32.0675
56 2AX9 BHM 0.00001023 0.56436 32.4895
57 1SR7 MOF 0.0001358 0.4998 32.4895
58 3V49 PK0 0.0000973 0.49596 32.4895
59 4OAR 2S0 0.00007122 0.49345 32.4895
60 5NTW 98N 0.001716 0.44742 32.4895
61 3OKI OKI 0.001698 0.41481 32.4895
62 3FUR Z12 0.0009032 0.47713 33.3333
63 3G9E RO7 0.001249 0.45789 33.3333
64 1M13 HYF 0.004278 0.43041 35.0211
65 4S15 4D8 0.001803 0.41173 35.0211
66 3KMZ EQO 0.0007696 0.45884 35.865
67 5K13 6Q7 0.0006308 0.4537 35.865
68 4Q0A 4OA 0.001712 0.42178 36.2869
69 4DK7 0KS 0.00475 0.40375 37.9747
70 3L0E G58 0.0007035 0.46061 38.8186
71 3KFC 61X 0.0002536 0.48874 39.2405
72 3KDU NKS 0.001261 0.47207 42.8571
73 3SP6 IL2 0.00476 0.41096 42.8571
74 1YYE 196 0.0000001179 0.59066 43.038
75 1U3R 338 0.00000002634 0.63809 43.8819
76 2I0G I0G 0.000001901 0.61144 43.8819
77 4J26 EST 0.00000003158 0.60253 43.8819
78 4J24 EST 0.00000006778 0.59027 43.8819
79 2PJL 047 0.007074 0.40704 44.7257
80 3FAL REA 0.000002305 0.54071 49.3671
81 3FAL LO2 0.001465 0.45199 49.3671
82 5CKS GAL 0.005409 0.43026 50
83 4OKZ 3E9 0.01069 0.4007 50
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