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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 291 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 247 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 209 families.
1 1PZL - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYR; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 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 with APoc: 193
This union binding pocket(no: 1) in the query (biounit: 1pzl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 5ET3 60C None
3 1ZEI CRS None
4 1MID LAP None
5 1L0I PSR None
6 6BKL EU7 None
7 3ZQE DXC 0.843882
8 2CIX CEJ 1.26582
9 2OWZ CIT 1.26582
10 3KU0 ADE 1.26582
11 3G4Q MCH 1.36986
12 5U98 1KX 1.68776
13 5E58 CPZ 1.68776
14 5Z3I ADE 1.88679
15 2HFN FMN 1.96078
16 3E3U NVC 2.03046
17 1TZD ADP 2.1097
18 1Q11 TYE 2.1097
19 5I8F ML1 2.42424
20 2W9S TOP 2.48447
21 5FPN KYD 2.53165
22 2HZL PYR 2.53165
23 5CX6 CDP 2.53165
24 3AQT RCO 2.53165
25 5C9J DAO 2.53165
26 4KWD JF2 2.53165
27 1QPR PHT 2.53165
28 3ZGJ RMN 2.53165
29 1UCN ADP 2.63158
30 2OCI TYC 2.95359
31 2H12 OAA 2.95359
32 2AQX ATP 2.95359
33 2BHW NEX 3.01724
34 5V4R MGT 3.08642
35 3O01 DXC 3.37553
36 2IF8 ADP 3.37553
37 5OLK DTP 3.37553
38 5M4Q PRO 3.37553
39 1R37 ETX 3.37553
40 6MVU K4V 3.79747
41 5OSW DIU 3.79747
42 4LOC BTN 3.79747
43 4JGP PYR 3.79747
44 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.79747
45 5K7K 6RJ 3.79747
46 5LUN OGA 3.79747
47 4O4Z N2O 3.8961
48 5EXA 5SO 3.91304
49 1XZ3 ICF 4.02299
50 3CHT 4NB 4.21941
51 2ALG DAO 4.34783
52 5WRE 7TL 4.51613
53 6CB2 OLC 4.64135
54 2QE0 NAP 4.64135
55 2WTN FER 4.64135
56 3M0J OAF 4.64135
57 4WZ8 3W7 4.64135
58 5BU2 RIB 4.64135
59 1M1B SPV 4.64135
60 2XEM SSV 4.66667
61 1LN1 DLP 4.6729
62 4UCC ZKW 4.72103
63 3QUZ QUV 4.78469
64 4DOO DAO 4.87805
65 5C1M OLC 5.06329
66 4E70 N7I 5.06329
67 5C1M 4VO 5.06329
68 5NM7 GLY 5.06329
69 5ZKC 3C0 5.06329
70 3GUZ PAF 5.11364
71 4RPM HXC 5.17241
72 3HP9 CF1 5.48523
73 1QCI ADE 5.48523
74 6A56 LAT 5.4878
75 5N26 CPT 5.49451
76 3RV5 DXC 5.61798
77 2VPY PCI 5.64103
78 2YFB SIN 5.90717
79 3AI3 SOE 5.90717
80 2CHT TSA 6.29921
81 5XJ8 NKO 6.32911
82 5XJ7 87O 6.32911
83 2GBB CIT 6.41026
84 1UVC STE 6.59341
85 3VVY ET 6.70103
86 3IQE F42 6.71378
87 3IQE H4M 6.71378
88 5KOD IAC 6.75105
89 2ZBL BMA 6.75105
90 1UI0 URA 6.82927
91 4QO5 NAG 7.173
92 6FK3 PPI 7.173
93 3PQC GDP 7.17949
94 1QV1 CZH 7.17949
95 5EB3 UEG 7.54717
96 3D78 NBB 7.56302
97 2BP1 FLC 7.59494
98 4MZU TDR 7.59494
99 3TKY N7I 7.59494
100 4JX1 CAH 7.9646
101 4MRP GSH 8.01688
102 1OIJ AKG 8.43882
103 5L8N 6RQ 8.59375
104 4UMJ BFQ 8.78378
105 3W54 RNB 8.86076
106 3WBG 2AN 9.15033
107 2E1A MSE 9.33333
108 1O9U ADZ 9.70464
109 5TVI MYR 9.78261
110 3R9C ECL 10.1266
111 4WGF HX2 10.2439
112 3LE7 ADE 10.5485
113 5OKL PAM 10.9705
114 5HZ5 65X 11.194
115 5IM3 DTP 11.3924
116 5A89 FMN 11.5385
117 5A89 ADP 11.5385
118 5IUY BOG 12.6582
119 4RQL SNE 13.0802
120 3R9V DXC 13.9241
121 1DTL BEP 14.346
122 2D5X L35 15.6028
123 4F06 PHB 15.6118
124 1ECM TSA 16.5138
125 5Y02 HBX 16.8224
126 3UP3 XCA 16.8776
127 6F9G PUT 17.2996
128 4NAT 2W5 18.75
129 3TL1 JRO 21.3836
130 1Q7E MET 21.4286
131 4P6X HCY 27.8481
132 4P6W MOF 27.8481
133 3HYW DCQ 28.5714
134 2Q1H AS4 28.692
135 1M2Z DEX 29.1139
136 3BQD DAY 29.1139
137 2O4J VD4 29.1139
138 5XPL 8C9 29.1139
139 3RY9 1CA 29.5359
140 4LSJ LSJ 29.5359
141 5G5W R8C 29.5359
142 1NHZ 486 29.5359
143 3GN8 DEX 29.9578
144 5UFS 1TA 29.9578
145 4E2J MOF 29.9578
146 5MWY YNU 30.8017
147 5HCV 60R 30.8017
148 2A3I C0R 30.8017
149 5L7G 6QE 31.2236
150 4UDB CV7 31.2236
151 3RUU 37G 31.2236
152 3DCT 064 31.2236
153 5ICK FEZ 31.2236
154 3JZB 4HY 31.2236
155 5UC1 486 31.6456
156 5APK 76E 32.0675
157 5IXK 6EW 32.0675
158 1N46 PFA 32.0675
159 2AX9 BHM 32.4895
160 5NTP 98E 32.4895
161 1SR7 MOF 32.4895
162 3V49 PK0 32.4895
163 4OAR 2S0 32.4895
164 5NTW 98N 32.4895
165 3OKI OKI 32.4895
166 4OIV XX9 32.9114
167 3FUR Z12 33.3333
168 3G9E RO7 33.3333
169 5TWO 7MV 33.3333
170 1M13 HYF 35.0211
171 4S15 4D8 35.0211
172 5K13 6Q7 35.865
173 3KMZ EQO 35.865
174 4Q0A 4OA 36.2869
175 6FX0 E9T 37.5527
176 4DK7 0KS 37.9747
177 3L0E G58 38.8186
178 3KFC 61X 39.2405
179 6A0S NDP 42.8571
180 3KDU NKS 42.8571
181 1T0S BML 42.8571
182 5LWY OLB 42.8571
183 4N6H EJ4 42.8571
184 4Y9J UCC 42.8571
185 5LX9 OLB 42.8571
186 3SP6 IL2 42.8571
187 1YYE 196 43.038
188 4J26 EST 43.8819
189 4J24 EST 43.8819
190 1U3R 338 43.8819
191 2I0G I0G 43.8819
192 3FAL REA 49.3671
193 3FAL LO2 49.3671
194 5CKS GAL 50
195 4OKZ 3E9 50
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