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...
View in 3D viewer
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 257 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 222 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 185 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: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 PGV 1 1
2 DR9 1 1
3 PGW 0.985507 1
4 OZ2 0.971831 1
5 P6L 0.957747 1
6 LHG 0.855072 0.977778
7 PGT 0.855072 0.977778
8 L9Q 0.766234 0.830189
9 LOP 0.766234 0.830189
10 CD4 0.75 0.933333
11 ZPE 0.746835 0.830189
12 44G 0.746479 0.977778
13 PGK 0.7375 0.916667
14 PCW 0.7375 0.706897
15 P3A 0.731707 0.956522
16 DGG 0.710843 0.916667
17 B7N 0.678571 0.843137
18 CN3 0.675 0.933333
19 GP7 0.674419 0.830189
20 PSC 0.659091 0.706897
21 CN6 0.65 0.933333
22 PEF 0.649351 0.811321
23 PEH 0.649351 0.811321
24 PTY 0.649351 0.811321
25 8PE 0.649351 0.811321
26 PEV 0.649351 0.811321
27 P5S 0.64557 0.826923
28 9PE 0.641026 0.811321
29 PEE 0.641026 0.796296
30 PEK 0.632184 0.830189
31 HGX 0.625 0.689655
32 PLD 0.625 0.689655
33 LIO 0.625 0.689655
34 PC7 0.625 0.689655
35 6PL 0.625 0.689655
36 HGP 0.625 0.689655
37 PIE 0.613636 0.788462
38 7PH 0.608108 0.891304
39 6PH 0.608108 0.891304
40 3PH 0.608108 0.891304
41 LPP 0.608108 0.891304
42 PX2 0.6 0.869565
43 7P9 0.6 0.891304
44 S12 0.595238 0.826923
45 L9R 0.590909 0.666667
46 EPH 0.589474 0.830189
47 OLB 0.589041 0.733333
48 MVC 0.589041 0.733333
49 OLC 0.589041 0.733333
50 AGA 0.585366 0.934783
51 XP5 0.580247 0.689655
52 PII 0.571429 0.823529
53 42H 0.569767 0.741379
54 CDL 0.567901 0.847826
55 PD7 0.56 0.891304
56 3TF 0.55914 0.618182
57 T7X 0.557895 0.843137
58 NKP 0.556962 0.913043
59 PSF 0.555556 0.826923
60 78M 0.554054 0.733333
61 78N 0.554054 0.733333
62 PIZ 0.550562 0.788462
63 PCK 0.549451 0.655738
64 1O2 0.548387 0.618182
65 TGL 0.542857 0.644444
66 M7U 0.542169 0.891304
67 PIF 0.54023 0.807692
68 IP9 0.539326 0.788462
69 PIO 0.522222 0.807692
70 52N 0.522222 0.807692
71 3PE 0.517647 0.735849
72 DDR 0.513514 0.688889
73 L2C 0.513514 0.688889
74 DGA 0.513514 0.688889
75 44E 0.513158 0.891304
76 DLP 0.510417 0.666667
77 1L2 0.504951 0.618182
78 PCF 0.488636 0.649123
79 MC3 0.488636 0.649123
80 PC1 0.488636 0.649123
81 PDK 0.485437 0.704918
82 GGD 0.481132 0.625
83 LBR 0.469136 0.638298
84 GYM 0.465753 0.711111
85 LP3 0.465116 0.724138
86 LAP 0.465116 0.724138
87 LPC 0.465116 0.724138
88 PGM 0.457831 0.913043
89 NKN 0.443038 0.891304
90 SQD 0.43299 0.630769
91 G2A 0.430556 0.652174
92 2JT 0.430556 0.652174
93 CN5 0.426966 0.913043
94 DGD 0.421569 0.607143
95 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: 195
This union binding pocket(no: 1) in the query (biounit: 1ymt.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HBK MYR 0.002111 0.48312 None
2 5DW1 5GD 0.03333 0.40676 None
3 1SBR VIB 0.02342 0.41396 1
4 3HYW DCQ 0.01113 0.43403 1.21951
5 4DOL PLM 0.009011 0.41151 1.38249
6 4AIG FLX 0.003195 0.44939 1.49254
7 3O01 DXC 0.0009914 0.52102 1.62602
8 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01473 0.44168 1.62602
9 5KLP IHP 0.02344 0.40586 1.62602
10 1E4I NFG 0.02185 0.40308 1.62602
11 3EWK FAD 0.01074 0.40474 1.76211
12 2Q4X HMH 0.02297 0.41458 1.80995
13 3TL1 JRO 0.01728 0.42097 1.88679
14 2VWA PTY 0.01231 0.44067 1.9802
15 1GVE CIT 0.007148 0.44473 2.03252
16 2YIV YIV 0.008148 0.4424 2.03252
17 2BP1 FLC 0.01684 0.43104 2.03252
18 5CX8 TG6 0.02647 0.41801 2.03252
19 3LE7 ADE 0.02917 0.40894 2.03252
20 2D4V FLC 0.02448 0.40878 2.03252
21 1R55 097 0.01329 0.42252 2.33645
22 1XMY ROL 0.007522 0.43526 2.43902
23 3G58 988 0.007345 0.43126 2.43902
24 1TO9 HMH 0.01986 0.42066 2.43902
25 2VDY HCY 0.02233 0.41806 2.43902
26 1J1R ADE 0.03501 0.40721 2.43902
27 1XM4 PIL 0.02123 0.40433 2.43902
28 2QES ADE 0.0451 0.40303 2.43902
29 3G4G D71 0.01243 0.40188 2.43902
30 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.009473 0.44329 2.51046
31 4WKI 3PW 0.01055 0.41928 2.55319
32 4WVO 3UZ 0.003345 0.40537 2.76243
33 5NFB 8VT 0.03083 0.41053 2.84091
34 4X8D AVI 0.005445 0.43198 2.84553
35 2XN5 FUN 0.007213 0.43165 2.84553
36 3KYQ DPV 0.002208 0.46816 3.01508
37 5UC9 MYR 0.01782 0.40808 3.09735
38 2YLD CMO 0.007352 0.44568 3.14961
39 3TDC 0EU 0.00162 0.51053 3.25203
40 5C1M OLC 0.02899 0.43194 3.25203
41 5C1M 4VO 0.01429 0.41281 3.25203
42 3W9R A8S 0.02023 0.40536 3.25203
43 5W3Y IHP 0.03456 0.40099 3.25203
44 2W14 WR2 0.01774 0.40458 3.46535
45 3AQT RCO 0.01491 0.43103 3.65854
46 2OWZ CIT 0.01838 0.42653 3.65854
47 5B25 4QJ 0.012 0.40918 3.65854
48 1O6U PLM 0.01901 0.40314 3.65854
49 1OW4 2AN 0.009848 0.42075 3.87597
50 5UGW GSH 0.0000584 0.5697 4
51 3W54 RNB 0.005247 0.42228 4.06504
52 3B99 U51 0.0131 0.41465 4.06504
53 3AI3 SOL 0.02446 0.41295 4.06504
54 5EHR 5OD 0.01476 0.41211 4.06504
55 1XKD ICT 0.0268 0.40675 4.06504
56 4XCP PLM 0.03948 0.40483 4.11765
57 5K53 STE 0.008855 0.40531 4.19847
58 3JRS A8S 0.01612 0.40315 4.32692
59 4OIC A8S 0.007222 0.41953 4.34783
60 3R9V DXC 0.03302 0.40763 4.47154
61 2BHW NEX 0.008086 0.45997 4.74138
62 2BHW XAT 0.04047 0.40468 4.74138
63 1Q3A NGH 0.009503 0.43003 4.84848
64 2HHP FLC 0.0003144 0.50486 4.87805
65 1FCH TYR GLN SER LYS LEU 0.006914 0.41005 4.87805
66 1ZPD CIT 0.04776 0.40524 4.87805
67 5XNA SHV 0.01117 0.44014 5.07246
68 5N1X 8HH 0.0001375 0.44814 5.08475
69 2GBB CIT 0.007895 0.43418 5.12821
70 3NJQ NJQ 0.02642 0.41116 5.18135
71 3EYK EYK 0.01794 0.43776 5.28455
72 4AQL TXC 0.01169 0.40631 5.28455
73 4A7W GTP 0.02411 0.42201 5.41667
74 4IN9 SER TRP PHE PRO 0.02722 0.40919 5.42169
75 3K3K A8S 0.008846 0.40533 5.6872
76 2NW9 FT6 0.006454 0.44642 5.69106
77 5HCN DAO 0.02575 0.41176 5.69106
78 4JOB TLA 0.02667 0.4066 5.69106
79 4ZGM 32M 0.04021 0.41166 5.7377
80 1NF8 BOG 0.006035 0.45708 5.7971
81 3KO0 TFP 0.0008403 0.49012 5.94059
82 4V3I ASP LEU THR ARG PRO 0.02985 0.41528 6.09756
83 1TV5 N8E 0.02668 0.41094 6.09756
84 4DS8 A8S 0.009578 0.41745 6.2201
85 2PX6 DH9 0.01067 0.41157 6.50407
86 5TVI MYR 0.003094 0.44684 6.52174
87 5OCA 9QZ 0.003239 0.4826 6.91244
88 1RL4 BL5 0.007937 0.40965 6.91489
89 4IBF 1D5 0.02147 0.40059 6.97674
90 3WBG 2AN 0.01507 0.40453 7.18954
91 3N7S 3N7 0.009034 0.44802 7.29167
92 4UCC ZKW 0.04548 0.41075 7.29614
93 4URX FK1 0.03128 0.417 7.31707
94 1L0I PSR 0.03303 0.41346 7.69231
95 3FEI CTM 0.001528 0.42818 7.72358
96 2P54 735 0.002311 0.41459 7.72358
97 1J78 OLA 0.01848 0.40285 7.72358
98 3SP6 IL2 0.0007239 0.45728 8.13008
99 1K7L 544 0.0008422 0.4321 8.13008
100 2NPA MMB 0.001957 0.43053 8.13008
101 4S15 4D8 0.002533 0.4257 8.13008
102 3ET1 ET1 0.004974 0.42335 8.13008
103 4IA6 EIC 0.03907 0.40642 8.13008
104 3KDU NKS 0.0003538 0.40276 8.13008
105 4RW3 PLM 0.02658 0.44279 8.53659
106 4RW3 SHV 0.01976 0.4415 8.53659
107 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.04629 0.413 8.53659
108 4RW3 TDA 0.03131 0.41288 8.53659
109 5MWE TCE 0.01135 0.43065 8.64198
110 5CHR 4NC 0.01203 0.42049 8.94309
111 1YC4 43P 0.01801 0.40785 8.94309
112 4YSX E23 0.01414 0.42559 9.04255
113 2CB8 MYA 0.01476 0.42868 9.1954
114 5IXK 6EW 0.002197 0.43193 9.21053
115 4ZOM 4Q3 0.01067 0.41157 9.33333
116 1A05 IPM 0.005823 0.44779 9.34959
117 5HX1 UMP 0.04246 0.40151 9.42029
118 1DZK PRZ 0.009336 0.4143 9.55414
119 3RLF MAL 0.01678 0.41729 10.1626
120 4OKD GLC GLC GLC 0.03927 0.40873 10.9756
121 1I06 TZL 0.01246 0.42851 11.1111
122 5HZ9 5M8 0.009037 0.40811 11.1111
123 1TW4 CHD 0.0219 0.40366 11.2
124 4DO1 ANN 0.03884 0.40435 11.3821
125 4URN NOV 0.02573 0.41178 12
126 1XVB 3BR 0.01049 0.42347 12.3529
127 1DTL BEP 0.008466 0.42397 14.9068
128 2WOR 2AN 0.001329 0.49085 22
129 1M2Z BOG 0.0006129 0.5409 22.3577
130 1M2Z DEX 0.00006961 0.49773 22.3577
131 4P6X HCY 0.0001216 0.4871 22.3577
132 4P6W MOF 0.0003076 0.46098 22.3577
133 2A3I C0R 0.00002192 0.51444 22.7642
134 5HCV 60R 0.0001513 0.48293 22.7642
135 5V4R MGT 0.02711 0.41476 22.8395
136 3BQD DAY 0.00001621 0.52008 23.1707
137 3GN8 DEX 0.00005903 0.50087 23.5772
138 4E2J MOF 0.00008383 0.4848 23.5772
139 4LSJ LSJ 0.000009202 0.53066 23.9837
140 5G5W R8C 0.0001324 0.46039 23.9837
141 1NHZ 486 0.0008275 0.44284 23.9837
142 3RY9 1CA 0.0001078 0.49948 24.3902
143 2Q1H AS4 0.00006436 0.50434 24.7967
144 3V49 PK0 0.0003494 0.45097 27.6423
145 2AX9 BHM 0.00009559 0.41093 27.6423
146 3KMR EQN 0.004529 0.42158 30.0813
147 3KMZ EQO 0.002061 0.41363 30.0813
148 5L7G 6QE 0.000005189 0.53578 30.8943
149 4UDB CV7 0.00003316 0.49254 30.8943
150 4DM8 REA 0.0002361 0.46582 30.8943
151 4DK7 0KS 0.0009396 0.4522 30.8943
152 3KFC 61X 0.0007155 0.41075 32.5203
153 4OAR 2S0 0.00006932 0.4978 32.9268
154 1SR7 MOF 0.0001831 0.43655 32.9268
155 5ICK FEZ 0.00264 0.4321 33.6245
156 5K13 6Q7 0.001911 0.43097 34.1463
157 5GIC DLC 0.001991 0.40701 34.5528
158 3L0E G58 0.0003462 0.44402 34.9594
159 3IPQ 965 0.0001574 0.44313 34.9594
160 5A86 D7E 0.02335 0.40985 34.9594
161 1BRW URA 0.02092 0.41791 35.7143
162 1QVJ RP5 0.03197 0.40815 35.7143
163 5E7V M7E 0.00294 0.40075 36.5854
164 5TWO 7MV 0.001082 0.44544 36.9919
165 2PRG BRL 0.002251 0.43912 36.9919
166 2R40 EPH 0.00002001 0.48836 44.7154
167 2R40 20E 0.004094 0.4075 44.7154
168 1U3R 338 0.0000112 0.54443 44.8133
169 4J26 EST 0.00000869 0.57009 45
170 4J24 EST 0.00001709 0.55573 45
171 3OLL EST 0.000008845 0.55561 45
172 2YJD YJD 0.00002956 0.53114 45
173 5HYR EST 0.000007483 0.56594 45.935
174 3UUA 0CZ 0.000897 0.47702 45.935
175 1RDT L79 0.00003639 0.51008 46.281
176 3FAL REA 0.001022 0.46396 46.281
177 1RDT 570 0.0005316 0.44356 46.281
178 3FAL LO2 0.0006468 0.41707 46.281
179 4MGB XDH 0.000001474 0.58468 46.3415
180 5DX3 EST 0.00001019 0.56671 46.3415
181 4MGD 27N 0.00001173 0.55661 46.3415
182 1YYE 196 0.000006379 0.56924 46.748
183 2I0G I0G 0.00009116 0.48971 46.748
184 3UUD EST 0.000005803 0.57121 47.1545
185 4TUZ 36J 0.000007212 0.57404 47.561
186 4MG7 27H 0.000002797 0.57197 47.561
187 5DXG EST 0.0000103 0.56649 47.561
188 5DXE EST 0.000007607 0.56559 47.561
189 4MG8 27J 0.00001419 0.55267 47.561
190 4MG9 27K 0.00009442 0.54021 47.561
191 3UU7 2OH 0.000327 0.51182 47.561
192 4TV1 36M 0.0003772 0.50856 47.561
193 4MGA 27L 0.008879 0.44767 47.561
194 3H0A 9RA 0.000017 0.53023 48.2456
195 2PJL 047 0.0008617 0.44585 49.187
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