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Receptor
PDB id Resolution Class Description Source Keywords
1YP0 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE STEROIDOGENIC FACTOR-1 LIGAND BINDING DOMAI PHOSPHOLIPID AND A SHP PEPTIDE MOTIF MUS MUSCULUS LIGAND DEPENDENT NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1 NHELICAL SANDWICH FOLD LBD FOLD TRANSCRIPTION
Ref.: CRYSTALLOGRAPHIC IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF PHOSPHOLIPIDS AS LIGANDS FOR TH NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1. MOL.CELL V. 17 491 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEF A:201;
Valid;
none;
ic50 = 100 nM
691.959 C37 H74 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YP0 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE STEROIDOGENIC FACTOR-1 LIGAND BINDING DOMAI PHOSPHOLIPID AND A SHP PEPTIDE MOTIF MUS MUSCULUS LIGAND DEPENDENT NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1 NHELICAL SANDWICH FOLD LBD FOLD TRANSCRIPTION
Ref.: CRYSTALLOGRAPHIC IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF PHOSPHOLIPIDS AS LIGANDS FOR TH NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1. MOL.CELL V. 17 491 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1YP0 ic50 = 100 nM PEF C37 H74 N O8 P 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 1YP0 ic50 = 100 nM PEF C37 H74 N O8 P 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 1YP0 ic50 = 100 nM PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEF; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 8PE 1 1
2 PEH 1 1
3 PEF 1 1
4 PTY 1 1
5 PEV 1 1
6 9PE 0.983051 1
7 LOP 0.865672 0.980769
8 L9Q 0.865672 0.980769
9 6OU 0.865672 0.980769
10 ZPE 0.814286 0.980769
11 HGX 0.80303 0.793103
12 HGP 0.80303 0.793103
13 6PL 0.80303 0.793103
14 PLD 0.80303 0.793103
15 LIO 0.80303 0.793103
16 PC7 0.80303 0.793103
17 PEE 0.8 0.980769
18 GP7 0.773333 0.980769
19 PEK 0.77027 0.980769
20 CD4 0.769231 0.823529
21 P5S 0.75 0.90566
22 PGT 0.746269 0.826923
23 XP5 0.746269 0.793103
24 LHG 0.746269 0.826923
25 3PH 0.714286 0.788462
26 F57 0.714286 0.788462
27 LPP 0.714286 0.788462
28 6PH 0.714286 0.788462
29 7PH 0.714286 0.788462
30 PCW 0.706667 0.779661
31 PX2 0.703125 0.769231
32 7P9 0.703125 0.788462
33 PX8 0.703125 0.769231
34 PCK 0.688312 0.754098
35 CN3 0.684932 0.823529
36 PGW 0.657895 0.811321
37 D3D 0.657895 0.811321
38 PII 0.657534 0.706897
39 CN6 0.657534 0.823529
40 PD7 0.65625 0.788462
41 P50 0.653846 0.90566
42 DR9 0.649351 0.811321
43 PGV 0.649351 0.811321
44 EPH 0.647059 0.980769
45 PSC 0.646341 0.779661
46 PSF 0.642857 0.90566
47 PGK 0.641026 0.781818
48 P6L 0.641026 0.811321
49 44G 0.637681 0.826923
50 8ND 0.636364 0.730769
51 CDL 0.633803 0.75
52 OZ2 0.632911 0.811321
53 D21 0.625 0.773585
54 M7U 0.625 0.788462
55 PIF 0.618421 0.694915
56 DGG 0.617284 0.781818
57 3PE 0.616438 0.884615
58 PIZ 0.607595 0.706897
59 PC1 0.6 0.724138
60 MC3 0.6 0.724138
61 PCF 0.6 0.724138
62 44E 0.6 0.788462
63 PIO 0.594937 0.694915
64 52N 0.594937 0.694915
65 IP9 0.594937 0.706897
66 B7N 0.585366 0.694915
67 PDK 0.577778 0.833333
68 AGA 0.565789 0.792453
69 FAW 0.553846 0.607843
70 L2C 0.553846 0.607843
71 DDR 0.553846 0.607843
72 DGA 0.553846 0.607843
73 PIE 0.541176 0.65
74 T7X 0.539326 0.694915
75 POV 0.535714 0.711864
76 L9R 0.535714 0.711864
77 LP3 0.533333 0.827586
78 LAP 0.533333 0.827586
79 LPC 0.533333 0.827586
80 P3A 0.523256 0.777778
81 NKO 0.492754 0.788462
82 NKN 0.492754 0.788462
83 42H 0.47619 0.813559
84 DLP 0.472527 0.711864
85 CN5 0.468354 0.843137
86 S12 0.447059 0.87037
87 43Y 0.445946 0.758621
88 PC5 0.443038 0.645161
89 NKP 0.435897 0.773585
90 GEL 0.421687 0.942308
91 3PC 0.421687 0.706897
92 PCJ 0.413793 0.672414
93 PGM 0.410256 0.773585
94 DB4 0.407407 0.644068
95 PBU 0.404762 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YP0; Ligand: PEF; Similar sites found with APoc: 234
This union binding pocket(no: 1) in the query (biounit: 1yp0.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2YLD CMO None
2 4RJD TFP None
3 1MT1 AG2 None
4 4O4Z N2O None
5 6C8X BVR None
6 1N13 AG2 None
7 6EIZ FOH None
8 5NNT DPV None
9 3QDV NDG None
10 1ZEI CRS None
11 3QDX CBS None
12 2QQD AG2 None
13 2QQC AG2 None
14 1SBR VIB 1
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.25523
16 3HYW DCQ 1.25523
17 3O01 DXC 1.67364
18 5KLP IHP 1.67364
19 3TL1 JRO 1.88679
20 2VWA PTY 1.9802
21 1GVE CIT 2.09205
22 6BR8 PGV 2.09205
23 3LE7 ADE 2.09205
24 5CX8 TG6 2.09205
25 3HP9 CF1 2.09205
26 4FBL SPD 2.09205
27 6BR9 PGV 2.09205
28 5M37 9SZ 2.17391
29 5EXA 5SO 2.17391
30 5M36 9SZ 2.18341
31 3RV5 DXC 2.24719
32 4WGF HX2 2.43902
33 2GWH PCI 2.51046
34 1J1R ADE 2.51046
35 1MRH FMC 2.51046
36 2VDY HCY 2.51046
37 2QES ADE 2.51046
38 1XMY ROL 2.51046
39 3E70 GDP 2.51046
40 3G58 988 2.51046
41 3RGZ BLD 2.51046
42 1MO9 KPC 2.51046
43 4OIC A8S 2.89855
44 5OLK DTP 2.92887
45 3BZ3 YAM 2.92887
46 2RH1 CLR 2.92887
47 2XN3 ID8 2.92887
48 3LXI CAM 2.92887
49 2YOO K2B 2.92887
50 3KYQ DPV 3.01508
51 5UC9 MYR 3.09735
52 1DTL BEP 3.10559
53 3ZQE DXC 3.34728
54 5OSW DIU 3.34728
55 3KB9 BTM 3.34728
56 4QEK GLC 3.34728
57 5C1M OLC 3.34728
58 4N6H EJ4 3.34728
59 6CB2 OLC 3.41297
60 5MOB A8S 3.44828
61 1N8V BDD 3.57143
62 5XNA SHV 3.62319
63 4G86 BNT 3.76569
64 3W54 RNB 3.76569
65 3AQT RCO 3.76569
66 3BRE C2E 3.76569
67 2OZ5 7XY 3.76569
68 3F3E LEU 3.76569
69 3ANY 2A3 3.76569
70 4BXK 1IU 3.76569
71 1BRW URA 3.76569
72 1O6U PLM 3.76569
73 4NTO 1PW 3.86473
74 1OW4 2AN 3.87597
75 4AIG FLX 3.9801
76 5UGW GSH 4
77 6A0S NDP 4.1841
78 1TZD ADP 4.1841
79 3CHT 4NB 4.1841
80 4IA6 EIC 4.1841
81 2CJP VPR 4.1841
82 5V4R MGT 4.32099
83 3JRS A8S 4.32692
84 1NC2 DOE 4.52489
85 6MVU K4V 4.60251
86 1T27 PCW 4.60251
87 1VR0 3SL 4.60251
88 4F06 PHB 4.60251
89 5AZC PGT 4.60251
90 2WDQ CBE 4.62185
91 3WUR O4B 4.67836
92 2BHW NEX 4.74138
93 2HHP FLC 5.02092
94 1ZPD CIT 5.02092
95 3D78 NBB 5.04202
96 5N1X 8HH 5.08475
97 2GBB CIT 5.12821
98 2YDW WSH 5.22876
99 3EWK FAD 5.28634
100 5W7B MYR 5.43933
101 3KU0 ADE 5.43933
102 6CGN DA 5.43933
103 4UYG 73B 5.73248
104 5Z3I ADE 5.85774
105 4UBS DIF 5.85774
106 5MIL DUP 5.85774
107 2Q8G AZX 5.85774
108 4JE5 PMP 5.85774
109 4JE5 PLP 5.85774
110 3KO0 TFP 5.94059
111 4JHG ZEA 5.95238
112 4WO4 JLS 6
113 5C9J DAO 6.06061
114 5WL1 D3D 6.06061
115 6GMN F4E 6.17284
116 4DS8 A8S 6.2201
117 3A76 SPD 6.25
118 2YIV YIV 6.27615
119 5TVI MYR 6.52174
120 5TVI O8N 6.52174
121 4MRP GSH 6.69456
122 4I90 CHT 6.69456
123 4B52 RDF 6.69456
124 1YKD CMP 6.69456
125 1RL4 BL5 6.91489
126 5IXK 6EW 7.01754
127 4RHP PEF 7.23404
128 3N7S 3N7 7.29167
129 3KDU NKS 7.53138
130 4W6Z ETF 7.53138
131 3ET1 ET1 7.53138
132 5KOD IAC 7.94979
133 1I0B PEL 7.94979
134 1J78 VDY 7.94979
135 3BJC WAN 8.3682
136 1QVJ RP5 8.3682
137 5MWE TCE 8.64198
138 5NTW 98N 8.78661
139 2UW1 GVM 8.78661
140 6ESN BWE 8.78661
141 5APK 76E 8.78661
142 5NTP 98E 8.82353
143 1XZ3 ICF 9.1954
144 5CHR 4NC 9.20502
145 2WG9 OCA 9.23077
146 2A1L PCW 9.62343
147 5Y02 MXN 10.2804
148 5Y02 HBX 10.2804
149 5A4W QCT 10.8491
150 1MID LAP 10.989
151 5IUY BOG 11.2971
152 5LX9 OLB 11.7155
153 3VVY ET 11.8557
154 5N26 CPT 12.6374
155 2Y69 CHD 13.2159
156 3HUJ AGH 13.8756
157 5N8V KZZ 14.4928
158 5WKR NAR 15.2466
159 5OCA 9QZ 15.873
160 5U97 PIT 16.6667
161 5W97 CHD 19.5652
162 5Z84 CHD 19.5652
163 5ZCO CHD 19.5652
164 4OGQ 7PH 20.6897
165 4OGQ 2WD 20.6897
166 4E2J MOF 23.8494
167 3GN8 DEX 23.8494
168 1M2Z BOG 24.2678
169 4LSJ LSJ 24.2678
170 3BQD DAY 24.2678
171 4P6X HCY 24.2678
172 5G5W R8C 24.2678
173 1M2Z DEX 24.2678
174 4P6W MOF 24.2678
175 1NHZ 486 24.2678
176 3RY9 1CA 24.6862
177 2Q1H AS4 25.1046
178 5UC1 486 25.6757
179 5LWY OLB 26.1682
180 3ZO7 K6H 26.5957
181 5MWY YNU 29.2887
182 2A3I C0R 29.2887
183 5HCV 60R 29.2887
184 5L7G 6QE 29.7071
185 4UDB CV7 29.7071
186 4DM8 REA 31.3808
187 4DK7 0KS 31.3808
188 3IPQ 965 32.636
189 3KFC 61X 33.0544
190 1SR7 MOF 33.4728
191 4OAR 2S0 33.4728
192 5ICK FEZ 34.9345
193 3KMZ EQO 35.1464
194 3KMR EQN 35.1464
195 5K13 6Q7 35.1464
196 3VRV YSD 35.5649
197 3L0E G58 35.9684
198 1M13 HYF 35.9833
199 2AX9 BHM 37.2385
200 5LGA 6VH 37.2385
201 3V49 PK0 37.2385
202 5E7V M7E 37.2385
203 4Q0A 4OA 37.2385
204 3RLF MAL 41.6667
205 5IM3 DTP 41.6667
206 1ZED PNP 41.6667
207 3OLL EST 45.1883
208 4J24 EST 45.1883
209 2YJD YJD 45.1883
210 4J26 EST 45.1883
211 3FAL REA 46.8619
212 3FAL LO2 46.8619
213 6A5Y 9CR 47.0588
214 4MGD 27N 47.6987
215 4MGB XDH 47.6987
216 5WGD EST 47.6987
217 5WGQ EST 47.6987
218 5HYR EST 47.6987
219 3UUA 0CZ 47.6987
220 5DX3 EST 48.1172
221 1U3R 338 48.1172
222 1YYE 196 48.1172
223 2I0G I0G 48.5356
224 5DXG EST 48.954
225 5DXE EST 48.954
226 3UUD EST 48.954
227 3UU7 2OH 48.954
228 4MG7 27H 48.954
229 4MG9 27K 48.954
230 4TV1 36M 48.954
231 4TUZ 36J 48.954
232 4MG8 27J 48.954
233 4MGA 27L 48.954
234 2R40 EPH 49.3724
235 1T0S BML 50
236 3W5N RAM 50
237 1ZOY UQ1 50
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