Receptor
PDB id Resolution Class Description Source Keywords
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL 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
P6L A:100;
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
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL 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 (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 5SYZ - 71W C28 H34 O CCCCCCC1=C....
2 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
3 5L11 - RJW C28 H34 O CCCCCCC1=C....
4 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
5 3PLZ - 470 C28 H35 N CCC/C=C(CC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P6L; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 P6L 1 1
2 OZ2 0.985915 1
3 PGW 0.971429 1
4 PGV 0.957747 1
5 DR9 0.957747 1
6 LHG 0.842857 0.977778
7 PGT 0.842857 0.977778
8 L9Q 0.75641 0.830189
9 LOP 0.75641 0.830189
10 CD4 0.739726 0.933333
11 44G 0.736111 0.977778
12 PCW 0.728395 0.706897
13 PGK 0.728395 0.916667
14 ZPE 0.716049 0.830189
15 DGG 0.702381 0.916667
16 P3A 0.702381 0.956522
17 B7N 0.670588 0.843137
18 CN3 0.666667 0.933333
19 GP7 0.666667 0.830189
20 PSC 0.651685 0.706897
21 CN6 0.641975 0.933333
22 PEF 0.641026 0.811321
23 PEH 0.641026 0.811321
24 PTY 0.641026 0.811321
25 8PE 0.641026 0.811321
26 PEV 0.641026 0.811321
27 P5S 0.6375 0.826923
28 9PE 0.632911 0.811321
29 PEE 0.632911 0.796296
30 PEK 0.625 0.830189
31 HGX 0.617284 0.689655
32 PLD 0.617284 0.689655
33 LIO 0.617284 0.689655
34 PC7 0.617284 0.689655
35 6PL 0.617284 0.689655
36 HGP 0.617284 0.689655
37 PIE 0.606742 0.788462
38 7PH 0.6 0.891304
39 6PH 0.6 0.891304
40 3PH 0.6 0.891304
41 LPP 0.6 0.891304
42 7P9 0.592105 0.891304
43 PX2 0.592105 0.869565
44 S12 0.588235 0.826923
45 L9R 0.58427 0.666667
46 EPH 0.583333 0.830189
47 OLC 0.581081 0.733333
48 OLB 0.581081 0.733333
49 AGA 0.578313 0.934783
50 XP5 0.573171 0.689655
51 PII 0.564706 0.823529
52 42H 0.563218 0.741379
53 CDL 0.560976 0.847826
54 MVC 0.56 0.733333
55 PD7 0.552632 0.891304
56 T7X 0.552083 0.843137
57 NKP 0.55 0.913043
58 PSF 0.548781 0.826923
59 78M 0.546667 0.733333
60 78N 0.546667 0.733333
61 PIZ 0.544444 0.788462
62 PCK 0.543478 0.655738
63 1O2 0.542553 0.618182
64 3TF 0.536842 0.618182
65 M7U 0.535714 0.891304
66 TGL 0.535211 0.644444
67 PIF 0.534091 0.807692
68 IP9 0.533333 0.788462
69 PIO 0.516484 0.807692
70 52N 0.516484 0.807692
71 3PE 0.511628 0.735849
72 DDR 0.506667 0.688889
73 L2C 0.506667 0.688889
74 DGA 0.506667 0.688889
75 44E 0.506494 0.891304
76 DLP 0.505155 0.666667
77 1L2 0.5 0.618182
78 PDK 0.495146 0.704918
79 PCF 0.483146 0.649123
80 MC3 0.483146 0.649123
81 PC1 0.483146 0.649123
82 GGD 0.476636 0.625
83 LBR 0.463415 0.638298
84 LAP 0.45977 0.724138
85 LPC 0.45977 0.724138
86 LP3 0.45977 0.724138
87 GYM 0.459459 0.711111
88 PGM 0.452381 0.913043
89 NKN 0.4375 0.891304
90 SQD 0.428571 0.630769
91 G2A 0.424658 0.652174
92 2JT 0.424658 0.652174
93 CN5 0.422222 0.913043
94 DGD 0.417476 0.607143
95 OPC 0.401961 0.694915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YOK; Ligand: P6L; Similar sites found: 213
This union binding pocket(no: 1) in the query (biounit: 1yok.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DOL PLM 0.006697 0.42612 None
2 2WG9 OCA 0.03833 0.41027 None
3 4RJD TFP 0.04087 0.40905 None
4 1OW4 2AN 0.02567 0.40822 None
5 4Q0K GA3 0.03133 0.4005 None
6 3W54 RNB 0.006107 0.428 1.5625
7 1OKC CXT 0.01344 0.40273 1.5625
8 4K55 H6P 0.01858 0.43224 1.6129
9 4HBM 0Y7 0.03646 0.40389 1.66667
10 4RQL SNE 0.01377 0.43003 1.95312
11 3H4L ANP 0.03242 0.40655 1.95312
12 3KO0 TFP 0.01973 0.43253 1.9802
13 5CHR 4NC 0.01518 0.43546 2.18978
14 5UC9 MYR 0.04137 0.40461 2.21239
15 1TV5 N8E 0.005872 0.46597 2.34375
16 1XMY ROL 0.009923 0.43754 2.34375
17 3KB9 BTM 0.008599 0.42453 2.34375
18 1XM4 PIL 0.01306 0.42305 2.34375
19 1J78 VDY 0.02055 0.42081 2.34375
20 1XMU ROF 0.01646 0.41436 2.34375
21 1J78 OLA 0.03294 0.41344 2.34375
22 3LXI CAM 0.03658 0.41246 2.34375
23 5K53 STE 0.01047 0.41056 2.34375
24 3LGG CFE 0.0211 0.40902 2.34375
25 3LE7 ADE 0.0395 0.40749 2.34375
26 2FN1 PYR 0.03539 0.40129 2.34375
27 5AX9 4KT 0.02331 0.40051 2.34375
28 3AQT RCO 0.007238 0.45217 2.44898
29 3G58 988 0.0157 0.4229 2.62467
30 2F2G HMH 0.03161 0.41583 2.71493
31 1I0B PEL 0.004701 0.46749 2.73438
32 1YC4 43P 0.007238 0.43596 2.73438
33 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03905 0.42432 2.73438
34 5HCN DAO 0.02666 0.4189 2.73438
35 4JZX 476 0.01225 0.41712 2.73438
36 2BP1 FLC 0.03467 0.41654 2.73438
37 4JZB P2H 0.01944 0.41433 2.73438
38 4DO1 ANN 0.04296 0.40771 2.73438
39 4N6H EJ4 0.04732 0.40523 2.73438
40 1VG0 GER 0.03276 0.40282 2.73438
41 1XZ3 ICF 0.02707 0.42825 2.87356
42 4WKI 3PW 0.01831 0.41565 2.97872
43 3KYQ DPV 0.004592 0.4603 3.01508
44 4UBS DIF 0.01101 0.44094 3.125
45 5AMC GLY NIY 0.01358 0.43034 3.125
46 3ZVS MLI 0.04234 0.41501 3.125
47 1FCH TYR GLN SER LYS LEU 0.008845 0.41388 3.125
48 4DR9 BB2 0.02339 0.40681 3.125
49 2C3Q GTX 0.02528 0.40855 3.23887
50 3RV5 DXC 0.001597 0.40889 3.37079
51 3B6C SDN 0.002551 0.47407 3.4188
52 5UGW GSH 0.0002502 0.49182 3.42857
53 4UCC ZKW 0.01152 0.43283 3.43348
54 5VRH OLB 0.02935 0.41941 3.44828
55 3CHT 4NB 0.01833 0.42951 3.51562
56 1QY8 RDI 0.009623 0.42218 3.51562
57 4LH7 NMN 0.03025 0.41717 3.51562
58 4OKD GLC GLC GLC 0.03853 0.41505 3.51562
59 3HYW DCQ 0.03883 0.41397 3.51562
60 5F5N 5VD 0.02052 0.41314 3.51562
61 5AZC PGT 0.00756 0.41124 3.51562
62 1ZEI CRS 0.02757 0.4181 3.77358
63 5B25 4QJ 0.007865 0.4264 3.84615
64 3ETG GWD 0.002952 0.44686 3.90625
65 3AI3 SOL 0.03918 0.40974 3.90625
66 1UH4 GLC GLC GLC GLC GLC GLC 0.02946 0.40709 3.90625
67 2RH1 CAU 0.01732 0.40663 3.90625
68 3KJD 78P 0.01221 0.40178 3.90625
69 5MBC FMN 0.02546 0.40175 3.90625
70 3WBG 2AN 0.01327 0.41545 3.92157
71 2PZE ATP 0.03096 0.41972 3.93013
72 5C9J STE 0.01444 0.40422 4.0404
73 5L2J 6UL 0.003592 0.41605 4.08163
74 5L2J 70E 0.007516 0.40492 4.08163
75 1RL4 BL5 0.004683 0.4697 4.25532
76 1GQY ACP 0.02275 0.40412 4.29688
77 4P3H 25G 0.008097 0.40957 4.66321
78 3NJQ NJQ 0.02663 0.4008 4.66321
79 3BU1 HSM 0.01039 0.43596 4.72973
80 5LX9 OLB 0.02381 0.40642 5.07812
81 5MOB A8S 0.01268 0.42767 5.17241
82 1N5S ADL 0.01646 0.41093 5.35714
83 4C9G CXT 0.007567 0.42362 5.46875
84 4DS8 A8S 0.01451 0.41706 5.46875
85 4WVO 3UZ 0.003508 0.41361 5.46875
86 2X5F PLP 0.02386 0.41348 5.46875
87 2PSJ CEI 0.03823 0.41033 5.46875
88 3V1S 0LH 0.03585 0.40303 5.46875
89 5OCA 9QZ 0.000375 0.53899 5.55556
90 3K3K A8S 0.005634 0.42275 5.6872
91 5MWE TCE 0.02693 0.41866 5.71429
92 4ZGM 32M 0.04458 0.41829 5.7377
93 3RLF MAL 0.008505 0.44108 5.85938
94 4MRP GSH 0.04041 0.42525 5.85938
95 3R9V DXC 0.03184 0.41551 5.85938
96 3D78 NBB 0.01143 0.40304 5.88235
97 1R55 097 0.02807 0.41362 6.07477
98 5V4R MGT 0.01693 0.44471 6.17284
99 5CX6 CDP 0.005843 0.45667 6.25
100 5CX8 TG6 0.02679 0.42973 6.25
101 1N6B DMZ 0.01406 0.41423 6.25
102 4OIC A8S 0.01256 0.4166 6.28019
103 2GBB CIT 0.01045 0.43636 6.41026
104 4I90 CHT 0.04015 0.41272 6.64062
105 1Q3A NGH 0.02159 0.41967 6.66667
106 2VOH CIT 0.04461 0.42383 7.00637
107 5W3Y IHP 0.03421 0.41297 7.03125
108 5W3X IHP 0.04799 0.40114 7.03125
109 3KU0 ADE 0.02421 0.42227 7.56972
110 3GQT UFO 0.01346 0.4224 7.8125
111 5EHR 5OD 0.02517 0.40864 8.20312
112 2XN5 FUN 0.01452 0.42465 8.59375
113 4DD8 BAT 0.03581 0.41189 8.65385
114 1KNY KAN 0.04612 0.40093 8.69565
115 1L0I PSR 0.04318 0.41563 8.97436
116 2QJY UQ2 0.04676 0.40651 8.98438
117 2CB8 MYA 0.01584 0.43533 9.1954
118 5LWY OLB 0.01849 0.41186 9.34579
119 3TDC 0EU 0.001432 0.54071 9.375
120 1XVB 3BR 0.003738 0.45498 9.375
121 4V3I ASP LEU THR ARG PRO 0.0274 0.41328 9.375
122 2IDO TMP 0.02163 0.42551 9.63855
123 4INW 1EY 0.01228 0.41369 10
124 5F5R ANP 0.02201 0.41923 10.084
125 5A8E XTK 0.008523 0.40579 10.1587
126 4WUJ FMN 0.01286 0.40954 10.2041
127 5L7G 6QE 0.0000002555 0.60514 10.9375
128 4UDB CV7 0.0000008208 0.57139 10.9375
129 5DCH 1YO 0.02 0.42843 10.9375
130 3NMV PYV 0.004071 0.44015 11.236
131 5L8N 6RQ 0.03162 0.41234 11.7188
132 4GBD MCF 0.01285 0.4036 11.7188
133 3N7S 3N7 0.00311 0.47993 12.5
134 1DTL BEP 0.01925 0.41454 15.528
135 5KLU 6UZ 0.007974 0.44735 16.0377
136 5HCV 60R 0.000004263 0.56361 16.4062
137 2A3I C0R 0.000003054 0.56412 16.6008
138 3TL1 JRO 0.00829 0.44644 17.6101
139 1H0A I3P 0.0334 0.41521 18.9873
140 3RY9 1CA 0.000005002 0.57302 21.2
141 5TME UDP 0.03325 0.40598 21.4286
142 2Q1H AS4 0.000006616 0.56101 21.4844
143 5UFS 1TA 0.000002595 0.56141 21.7742
144 2VWA PTY 0.01066 0.4501 21.7822
145 4G8R 96P 0.04178 0.41162 21.875
146 5HZ9 5M8 0.00591 0.40189 22.2222
147 4LSJ LSJ 0.000000711 0.46395 22.2656
148 5XNA SHV 0.00625 0.4532 22.4638
149 1NHZ 486 0.00001697 0.53654 22.6562
150 1TW4 CHD 0.02938 0.40523 23.2
151 3SP6 IL2 0.0004067 0.4787 25
152 3ET1 ET1 0.001148 0.46214 25
153 2NPA MMB 0.002858 0.4326 25
154 3KDU NKS 0.001512 0.41912 25
155 1K7L 544 0.004154 0.41336 25
156 2P54 735 0.004681 0.41122 25
157 3JZB 4HY 0.005131 0.40434 25
158 1N46 PFA 0.002609 0.42169 25.3906
159 5TWO 7MV 0.001134 0.45419 26.9531
160 2PRG BRL 0.002063 0.45018 26.9531
161 3BQD DAY 0.000005212 0.43911 27.3438
162 5BVT PAM 0.003415 0.43258 28.3582
163 5NTW 98N 0.005214 0.40158 28.7938
164 4OAR 2S0 0.000009068 0.54883 29.6875
165 1SR7 MOF 0.00003204 0.45459 29.6875
166 5APK 76E 0.0004312 0.44716 30.0781
167 5IXK 6EW 0.0007444 0.46245 31.5789
168 4ZOM 4Q3 0.00004228 0.49634 32
169 2AX9 BHM 0.00009201 0.43369 32.0312
170 3V49 PK0 0.0001554 0.41504 32.0312
171 3RET SAL 0.01685 0.41386 32.6733
172 3RET PYR 0.01685 0.41386 32.6733
173 4S15 4D8 0.002228 0.43739 33.9844
174 1M13 HYF 0.0004244 0.41682 33.9844
175 4Q0A 4OA 0.002194 0.445 35.1562
176 5LGA 6VH 0.0003159 0.43435 35.1562
177 5E7V M7E 0.0003993 0.41218 35.1562
178 3KFC 61X 0.00008749 0.46083 37.1094
179 3VRV YSD 0.0001404 0.40676 37.5
180 2O4J VD4 0.006103 0.40385 37.5
181 5K13 6Q7 0.0002199 0.48191 38.2114
182 5GIC DLC 0.001712 0.42053 38.4
183 3BEJ MUF 0.001368 0.44318 38.6555
184 1YYE 196 0.0000001206 0.66615 39.0625
185 4DM8 REA 0.00002039 0.52253 39.0625
186 5DX3 EST 0.000000353 0.65208 39.8438
187 5HYR EST 0.0000002535 0.65033 39.8438
188 5DXE EST 0.0000002586 0.64991 39.8438
189 5DXG EST 0.0000005585 0.6421 39.8438
190 4MGB XDH 0.00000001366 0.6934 40
191 4MG7 27H 0.00000006042 0.66309 40
192 4MG8 27J 0.0000001422 0.66264 40
193 4TUZ 36J 0.0000003967 0.64954 40
194 4MG9 27K 0.000003131 0.63089 40
195 4MGD 27N 0.000000633 0.63086 40
196 4MGA 27L 0.00009243 0.55328 40
197 3UUD EST 0.000000136 0.66358 40.6375
198 3UU7 2OH 0.000004588 0.62195 40.6375
199 3UUA 0CZ 0.000006812 0.59549 40.6375
200 4TV1 36M 0.00004111 0.57066 40.6375
201 5APJ 76E 0.001562 0.42209 41.6667
202 2DPY ADP 0.02346 0.42193 42.8571
203 4C1M NIH 0.03525 0.40447 42.8571
204 2R40 EPH 0.00001652 0.50351 44.1406
205 2R40 20E 0.002049 0.42907 44.1406
206 3KMR EQN 0.0003371 0.48245 45.7031
207 3KMZ EQO 0.00008205 0.47961 45.7031
208 2I0G I0G 0.00003513 0.41373 45.7031
209 1U3R 338 0.0000000745 0.65881 48.1328
210 4J26 EST 0.0000003391 0.65295 48.3333
211 2YJD YJD 0.0000008883 0.61576 48.3333
212 3OLL EST 0.00000009019 0.46514 48.3333
213 4J24 EST 0.0000005271 0.43023 48.3333
214 2HHP FLC 0.0003521 0.50506 50
215 2OBM ADP 0.01331 0.44069 50
216 4ARE FLC 0.03643 0.41521 50
217 5IKR ID8 0.02043 0.41324 50
218 3VVY ET 0.00628 0.40595 50
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