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Receptor
PDB id Resolution Class Description Source Keywords
1YMT 1.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE MOUSE SF-1 LBD MUS MUSCULUS NUCLEAR RECEPTOR SF-1 LIGAND-BINDING DOMAIN LIGAND PHOSPHATIDYL GLYCEROL CO-REPRESSOR PEPTIDE 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
DR9 A:500;
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
1YMT 1.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE MOUSE SF-1 LBD MUS MUSCULUS NUCLEAR RECEPTOR SF-1 LIGAND-BINDING DOMAIN LIGAND PHOSPHATIDYL GLYCEROL CO-REPRESSOR PEPTIDE 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
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 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1YUC - EPH C39 H68 N O8 P CCCC=CCC=C....
2 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DR9; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 DR9 1 1
2 PGV 1 1
3 D3D 0.985507 1
4 PGW 0.985507 1
5 OZ2 0.971831 1
6 P6L 0.957747 1
7 PGT 0.855072 0.977778
8 LHG 0.855072 0.977778
9 L9Q 0.766234 0.830189
10 LOP 0.766234 0.830189
11 6OU 0.766234 0.830189
12 CD4 0.75 0.933333
13 P50 0.75 0.826923
14 ZPE 0.746835 0.830189
15 44G 0.746479 0.977778
16 PCW 0.7375 0.706897
17 PGK 0.7375 0.916667
18 P3A 0.731707 0.956522
19 D21 0.72973 0.913043
20 DGG 0.710843 0.916667
21 B7N 0.678571 0.843137
22 CN3 0.675 0.933333
23 GP7 0.674419 0.830189
24 PSC 0.659091 0.706897
25 CN6 0.65 0.933333
26 8PE 0.649351 0.811321
27 PEF 0.649351 0.811321
28 PEH 0.649351 0.811321
29 PTY 0.649351 0.811321
30 PEV 0.649351 0.811321
31 P5S 0.64557 0.826923
32 9PE 0.641026 0.811321
33 PEE 0.641026 0.796296
34 PEK 0.632184 0.830189
35 PLD 0.625 0.689655
36 HGP 0.625 0.689655
37 PC7 0.625 0.689655
38 HGX 0.625 0.689655
39 6PL 0.625 0.689655
40 LIO 0.625 0.689655
41 PIE 0.613636 0.788462
42 7PH 0.608108 0.891304
43 F57 0.608108 0.891304
44 6PH 0.608108 0.891304
45 3PH 0.608108 0.891304
46 LPP 0.608108 0.891304
47 PX8 0.6 0.869565
48 7P9 0.6 0.891304
49 PX2 0.6 0.869565
50 S12 0.595238 0.826923
51 L9R 0.590909 0.666667
52 POV 0.590909 0.666667
53 EPH 0.589474 0.830189
54 OLB 0.589041 0.733333
55 MVC 0.589041 0.733333
56 OLC 0.589041 0.733333
57 AGA 0.585366 0.934783
58 XP5 0.580247 0.689655
59 PII 0.571429 0.823529
60 42H 0.569767 0.741379
61 CDL 0.567901 0.847826
62 PD7 0.56 0.891304
63 3TF 0.55914 0.618182
64 T7X 0.557895 0.843137
65 NKP 0.556962 0.913043
66 PSF 0.555556 0.826923
67 78N 0.554054 0.733333
68 78M 0.554054 0.733333
69 PIZ 0.550562 0.788462
70 PCK 0.549451 0.655738
71 1O2 0.548387 0.618182
72 TGL 0.542857 0.644444
73 M7U 0.542169 0.891304
74 PIF 0.54023 0.807692
75 IP9 0.539326 0.788462
76 PIO 0.522222 0.807692
77 52N 0.522222 0.807692
78 3PE 0.517647 0.735849
79 L2C 0.513514 0.688889
80 DDR 0.513514 0.688889
81 DGA 0.513514 0.688889
82 FAW 0.513514 0.688889
83 44E 0.513158 0.891304
84 DLP 0.510417 0.666667
85 1L2 0.504951 0.618182
86 MC3 0.488636 0.649123
87 PC1 0.488636 0.649123
88 PCF 0.488636 0.649123
89 PDK 0.485437 0.704918
90 GGD 0.481132 0.625
91 LBR 0.469136 0.638298
92 GYM 0.465753 0.711111
93 1QW 0.465753 0.711111
94 LAP 0.465116 0.724138
95 LP3 0.465116 0.724138
96 LPC 0.465116 0.724138
97 PGM 0.457831 0.913043
98 NKO 0.443038 0.891304
99 NKN 0.443038 0.891304
100 SQD 0.43299 0.630769
101 G2A 0.430556 0.652174
102 2JT 0.430556 0.652174
103 CN5 0.426966 0.913043
104 DGD 0.421569 0.607143
105 OPC 0.405941 0.694915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YMT; Ligand: DR9; Similar sites found with APoc: 294
This union binding pocket(no: 1) in the query (biounit: 1ymt.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1HBK MYR None
2 5NNT DPV None
3 1N8V BDD None
4 4O4Z N2O None
5 1ZEI CRS None
6 3KPE TM3 None
7 2VQ5 HBA 0.813008
8 1SBR VIB 1
9 3HYW DCQ 1.21951
10 4DOL PLM 1.38249
11 4AIG FLX 1.49254
12 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.62602
13 3O01 DXC 1.62602
14 5KLP IHP 1.62602
15 1E4I NFG 1.62602
16 3EWK FAD 1.76211
17 2Q4X HMH 1.80995
18 3TL1 JRO 1.88679
19 2VWA PTY 1.9802
20 1GVE CIT 2.03252
21 6DIO CIT 2.03252
22 2YIV YIV 2.03252
23 5XJ7 87O 2.03252
24 6BR8 6OU 2.03252
25 6BR8 PGV 2.03252
26 2BP1 FLC 2.03252
27 5CX8 TG6 2.03252
28 3NB0 G6P 2.03252
29 3LE7 ADE 2.03252
30 2D4V FLC 2.03252
31 3RV5 DXC 2.24719
32 1R55 097 2.33645
33 2GWH PCI 2.43902
34 4WGF HX2 2.43902
35 3W5N RAM 2.43902
36 1XMY ROL 2.43902
37 3G58 988 2.43902
38 3UXL CFI 2.43902
39 1TO9 HMH 2.43902
40 2VDY HCY 2.43902
41 1J1R ADE 2.43902
42 1XM4 PIL 2.43902
43 5G57 6M5 2.43902
44 2QES ADE 2.43902
45 3G4G D71 2.43902
46 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.51046
47 4WKI 3PW 2.55319
48 4WVO 3UZ 2.76243
49 5NFB 8VT 2.84091
50 4X8D AVI 2.84553
51 2XN5 FUN 2.84553
52 5OLK DTP 2.84553
53 2XN3 ID8 2.84553
54 2RH1 CLR 2.84553
55 3KYQ DPV 3.01508
56 5UC9 MYR 3.09735
57 2YLD CMO 3.14961
58 3TDC 0EU 3.25203
59 5C1M OLC 3.25203
60 2HZL PYR 3.25203
61 5OSW DIU 3.25203
62 5C1M 4VO 3.25203
63 3W9R A8S 3.25203
64 5W3Y IHP 3.25203
65 4DD8 BAT 3.36538
66 6CB2 OLC 3.41297
67 2W14 WR2 3.46535
68 4V1F BQ1 3.48837
69 5KBE IPH 3.49345
70 4G86 BNT 3.65854
71 1FX8 BOG 3.65854
72 3AQT RCO 3.65854
73 2OWZ CIT 3.65854
74 2OZ5 7XY 3.65854
75 5B25 4QJ 3.65854
76 1O6U PLM 3.65854
77 4NTO 1PW 3.86473
78 1OW4 2AN 3.87597
79 5UGW GSH 4
80 3AI3 SOE 4.06504
81 3W54 RNB 4.06504
82 3B99 U51 4.06504
83 3AI3 SOL 4.06504
84 1XKD ICT 4.06504
85 4XCP PLM 4.11765
86 5K53 STE 4.19847
87 3JRS A8S 4.32692
88 4OIC A8S 4.34783
89 5MTE BB2 4.37956
90 5AZC PGT 4.47154
91 1VR0 3SL 4.47154
92 3R9V DXC 4.47154
93 4Y9J UCC 4.47154
94 2BHW NEX 4.74138
95 2BHW XAT 4.74138
96 5M37 9SZ 4.78261
97 5M36 9SZ 4.80349
98 1Q3A NGH 4.84848
99 2HHP FLC 4.87805
100 3LGG CFE 4.87805
101 1FCH TYR GLN SER LYS LEU 4.87805
102 1ZPD CIT 4.87805
103 5XNA SHV 5.07246
104 5N1X 8HH 5.08475
105 2GBB CIT 5.12821
106 3NJQ NJQ 5.18135
107 5W7B MYR 5.28455
108 3EYK EYK 5.28455
109 6CGN DA 5.28455
110 1TED MYR 5.28455
111 4AQL TXC 5.28455
112 4A7W GTP 5.41667
113 4IN9 SER TRP PHE PRO 5.42169
114 4DE3 DN8 5.69106
115 2NW9 FT6 5.69106
116 2BCG GER 5.69106
117 5HCN DAO 5.69106
118 4JOB TLA 5.69106
119 4I90 CHT 5.69106
120 4ZGM 32M 5.7377
121 1NF8 BOG 5.7971
122 3KO0 TFP 5.94059
123 5C9J DAO 6.06061
124 5WL1 D3D 6.06061
125 5Z3I ADE 6.09756
126 4V3I ASP LEU THR ARG PRO 6.09756
127 4UHL VFV 6.09756
128 1TV5 N8E 6.09756
129 1B4N GUA 6.09756
130 2NNQ T4B 6.10687
131 6GMN F4E 6.17284
132 4DS8 A8S 6.2201
133 1SGJ OAA 6.33803
134 5IM3 DTP 6.50407
135 2CDC XYS 6.50407
136 2PX6 DH9 6.50407
137 5TVI MYR 6.52174
138 5OCA 9QZ 6.91244
139 1RL4 BL5 6.91489
140 4IBF 1D5 6.97674
141 3WBG 2AN 7.18954
142 3N7S 3N7 7.29167
143 4UCC ZKW 7.29614
144 5OKL PAM 7.31707
145 4URX FK1 7.31707
146 4RHP PEF 7.31707
147 1L0I PSR 7.69231
148 3FEI CTM 7.72358
149 2P54 735 7.72358
150 1J78 OLA 7.72358
151 3SP6 IL2 8.13008
152 3KDU NKS 8.13008
153 1K7L 544 8.13008
154 2NPA MMB 8.13008
155 4S15 4D8 8.13008
156 3ET1 ET1 8.13008
157 4IA6 EIC 8.13008
158 1KUK PCA LYS TRP 8.37438
159 2UW1 GVM 8.53659
160 4RW3 PLM 8.53659
161 4RW3 SHV 8.53659
162 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 8.53659
163 4RW3 TDA 8.53659
164 6ESN BWE 8.53659
165 6D28 NEC 8.53659
166 5NTW 98N 8.53659
167 5MWE TCE 8.64198
168 5NTP 98E 8.82353
169 5CHR 4NC 8.94309
170 1YC4 43P 8.94309
171 4YSX E23 9.04255
172 5UC4 83S 9.09091
173 2CB8 MYA 9.1954
174 5IXK 6EW 9.21053
175 1A05 IPM 9.34959
176 5YAK YOF 9.34959
177 5LY1 PPI 9.34959
178 5HX1 UMP 9.42029
179 1DZK PRZ 9.55414
180 3RLF MAL 10.1626
181 5UV1 0FV 10.1626
182 5Y02 MXN 10.2804
183 5Y02 HBX 10.2804
184 6BVK EAV 10.7784
185 6BVM EBV 10.7784
186 6BVI EC4 10.7784
187 6BVL EBY 10.7784
188 6BVJ EAS 10.7784
189 5A4W QCT 10.8491
190 4OKD GLC GLC GLC 10.9756
191 1MID LAP 10.989
192 1I06 TZL 11.1111
193 5HZ9 5M8 11.1111
194 1TW4 CHD 11.2
195 4DO1 ANN 11.3821
196 5LX9 OLB 11.3821
197 3VVY ET 11.8557
198 4URN NOV 12
199 1XVB 3BR 12.3529
200 2Y69 CHD 13.2159
201 3RMK BML 14.4578
202 5N26 CPT 14.8352
203 1DTL BEP 14.9068
204 2D5X L35 19.1489
205 5Z84 CHD 19.5652
206 5W97 CHD 19.5652
207 5ZCO CHD 19.5652
208 4OGQ UMQ 20.6897
209 4OGQ 7PH 20.6897
210 4OGQ 2WD 20.6897
211 2WOR 2AN 22
212 1M2Z BOG 22.3577
213 1M2Z DEX 22.3577
214 4P6X HCY 22.3577
215 4P6W MOF 22.3577
216 2A3I C0R 22.7642
217 5HCV 60R 22.7642
218 5V4R MGT 22.8395
219 3BQD DAY 23.1707
220 3GN8 DEX 23.5772
221 4E2J MOF 23.5772
222 4LSJ LSJ 23.9837
223 5G5W R8C 23.9837
224 1NHZ 486 23.9837
225 3RY9 1CA 24.3902
226 2Q1H AS4 24.7967
227 5UC1 486 26.1261
228 5LWY OLB 26.1682
229 3V49 PK0 27.6423
230 2AX9 BHM 27.6423
231 3KMR EQN 30.0813
232 3KMZ EQO 30.0813
233 5MWY YNU 30.4878
234 5L7G 6QE 30.8943
235 4UDB CV7 30.8943
236 4DM8 REA 30.8943
237 4DK7 0KS 30.8943
238 3BEJ MUF 32.3529
239 3KFC 61X 32.5203
240 6FX0 E9T 32.9268
241 1SR7 MOF 32.9268
242 4OAR 2S0 32.9268
243 5ICK FEZ 33.6245
244 5K13 6Q7 34.1463
245 3VRV YSD 34.5528
246 3L0E G58 34.9594
247 3IPQ 965 34.9594
248 1M13 HYF 34.9594
249 1T0S BML 35.7143
250 1BRW URA 35.7143
251 1QVJ RP5 35.7143
252 5LGA 6VH 36.5854
253 4Q0A 4OA 36.5854
254 5E7V M7E 36.5854
255 5TWO 7MV 36.9919
256 2PRG BRL 36.9919
257 3FUR Z12 36.9919
258 3G9E RO7 36.9919
259 5IUY BOG 42.8571
260 1ZED PNP 42.8571
261 4F06 PHB 42.8571
262 4QGE 35O 42.8571
263 2R40 EPH 44.7154
264 2R40 20E 44.7154
265 1U3R 338 44.8133
266 4J26 EST 45
267 4J24 EST 45
268 3OLL EST 45
269 2YJD YJD 45
270 5WGD EST 45.935
271 5WGQ EST 45.935
272 5HYR EST 45.935
273 3UUA 0CZ 45.935
274 1RDT L79 46.281
275 3FAL REA 46.281
276 1RDT 570 46.281
277 3FAL LO2 46.281
278 5DX3 EST 46.3415
279 4MGD 27N 46.3415
280 4MGB XDH 46.3415
281 1YYE 196 46.748
282 2I0G I0G 46.748
283 6A5Y 9CR 47.0588
284 3UUD EST 47.1545
285 4TUZ 36J 47.561
286 4MG7 27H 47.561
287 5DXG EST 47.561
288 5DXE EST 47.561
289 4MG8 27J 47.561
290 4MG9 27K 47.561
291 3UU7 2OH 47.561
292 4MGA 27L 47.561
293 4TV1 36M 47.561
294 3H0A 9RA 48.2456
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