Receptor
PDB id Resolution Class Description Source Keywords
2p7a 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF ESTROGEN RELATED RECEPTOR G IN COMPLEX METHYL PHENOL HOMO SAPIENS THREE LAYERED ALPHA HELICAL SANDWICH HORMONE RECEPTOR
Ref.: STRUCTURAL DETERMINATION OF ESTROGEN-RELATED RECEPT IN THE PRESENCE OF PHENOL DERIVATIVE COMPOUNDS. J.STEROID BIOCHEM.MOL.BIOL. V. 108 44 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
43M A:1;
 Valid;
 none;
 Kd = 0.788 uM
142.583 C7 H7 Cl O Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6K3N 1.97 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN ESTROGEN-RELATED RECEPTOR GAMMA L BINDING DOMAIN COMPLEX WITH BPA-MONOF HOMO SAPIENS TRANSCRIPTION
Ref.: EVALUATION OF THE INFLUENCE OF HALOGENATION ON THE OF BISPHENOL A TO THE ESTROGEN-RELATED RECEPTOR GAM CHEM.RES.TOXICOL. V. 33 889 2020
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
2 6I61 Kd = 569 nM H3W C16 H18 O2 CCC(C)(c1c....
3 6I66 Kd = 182.5 nM H4Q C10 H14 O CC[C@@H](C....
4 6I64 Kd = 48.7 nM H48 C14 H14 O2 CC(c1ccc(c....
5 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
6 1S9P - DES C18 H20 O2 CC/C(=C(/C....
7 6I67 Kd = 201.4 nM H42 C10 H12 O c1cc2c(cc1....
8 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
9 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CC/C(=C(c1....
10 6I65 Kd = 390.4 nM H3Z C9 H12 O CC(C)c1ccc....
11 6I62 Kd = 157.3 nM 27N C14 H11 Cl3 O2 c1cc(ccc1C....
12 2GPU - OHT C26 H29 N O2 CC/C(=C(c1....
13 6I63 Kd = 98 nM 2OH C15 H16 O2 CC(C)(c1cc....
14 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
15 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
16 6K3N ic50 = 5.3 nM CW6 C15 H15 F O2 CC(C)(c1cc....
17 1S9Q - OHT C26 H29 N O2 CC/C(=C(c1....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2PJL ic50 = 190 nM 047 C23 H28 N2 Cc1ccc(cc1....
2 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
3 6I61 Kd = 569 nM H3W C16 H18 O2 CCC(C)(c1c....
4 6I66 Kd = 182.5 nM H4Q C10 H14 O CC[C@@H](C....
5 6I64 Kd = 48.7 nM H48 C14 H14 O2 CC(c1ccc(c....
6 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
7 1S9P - DES C18 H20 O2 CC/C(=C(/C....
8 6I67 Kd = 201.4 nM H42 C10 H12 O c1cc2c(cc1....
9 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
10 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CC/C(=C(c1....
11 6I65 Kd = 390.4 nM H3Z C9 H12 O CC(C)c1ccc....
12 6I62 Kd = 157.3 nM 27N C14 H11 Cl3 O2 c1cc(ccc1C....
13 2GPU - OHT C26 H29 N O2 CC/C(=C(c1....
14 6I63 Kd = 98 nM 2OH C15 H16 O2 CC(C)(c1cc....
15 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
16 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
17 6K3N ic50 = 5.3 nM CW6 C15 H15 F O2 CC(C)(c1cc....
18 1S9Q - OHT C26 H29 N O2 CC/C(=C(c1....
50% Homology Family (101)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3ERT - OHT C26 H29 N O2 CC/C(=C(c1....
2 6WOK ic50 = 1.6 nM U6D C28 H33 F4 N3 O C[C@@H]1Cc....
3 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 C[C@@H]1c2....
4 6DF6 ic50 = 0.059 uM G8Y C29 H28 F N O5 c1cc(ccc1[....
5 5W9C - OHT C26 H29 N O2 CC/C(=C(c1....
6 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S C[C@@H]1CN....
7 5FQT ic50 = 160 nM 7QN C23 H27 N O3 Cc1c(ccc2c....
8 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
9 5FQV ic50 = 610 nM VQI C23 H27 N O3 Cc1cc2c(cc....
10 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
11 5FQR ic50 = 26 nM QHG C22 H25 N O3 CC(C)CN1CC....
12 6SBO - L5B C31 H30 Cl2 F N O3 c1cc(ccc1C....
13 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 C[C@H](CCc....
14 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
15 6DFN ic50 = 0.055 uM G91 C29 H28 F N O5 c1cc(ccc1[....
16 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
17 5U2B - 6WV C24 H29 N O C[C@]12CC[....
18 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
19 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
20 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
21 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S C[C@H]1CN(....
22 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
23 6CHZ - F3D C31 H36 N4 O2 CC/C(=C(/c....
24 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
25 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
26 2QE4 Ki = 11 nM JJ3 C20 H22 O4 COCc1cc(cc....
27 5AK2 ic50 = 0.0039 uM 85Z C26 H19 F O5 Cc1cc(ccc1....
28 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S C[C@@H](CO....
29 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
30 5UFW - 86V C29 H31 N O4 C[C@H]1CCN....
31 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 C[C@H](CCc....
32 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
33 5TN9 - 7EC C31 H32 Br N O6 S c1cc(ccc1C....
34 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
35 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
36 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
37 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
38 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
39 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S C[C@H](COc....
40 6SQ0 ic50 = 0.00000001 M LRQ C27 H27 F3 N2 O2 CC(C)(CN1[....
41 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
42 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
43 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
44 5TNB - 7EB C28 H28 Br N O6 S CN(C)CCOc1....
45 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1[....
46 5T92 ic50 = 16 nM 77W C25 H22 F N O3 C[C@]1(c2c....
47 5W9D - 9XY C25 H27 N O2 CC/C(=C(c1....
48 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
49 5AAU ic50 = 13.8 uM XBR C20 H19 Cl N2 O2 c1ccc2c(c1....
50 6PET - G9J C22 H17 I O3 CC1=C([C@@....
51 6SUO ic50 = 0.00000001 M LVH C26 H27 F3 N2 O2 C[C@@H]1Cc....
52 5UFX - 86Y C29 H31 N O4 C[C@@H]1CC....
53 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
54 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
55 5FQP ic50 = 19 nM GQD C23 H27 N O3 C[C@@H]1Cc....
56 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 C[C@@H]1c2....
57 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
58 2AYR Ki = 0.51 nM L4G C30 H31 N O5 S CS(=O)(=O)....
59 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
60 5FQS ic50 = 44 nM J0W C23 H27 N O3 CC(C)CN1CC....
61 1QKT Kd = 0.92 nM EST C18 H24 O2 C[C@]12CC[....
62 6IAR - H8W C23 H27 N3 O2 CC(C)CN1CC....
63 5ACC ic50 = 0.676 nM KE9 C25 H25 F3 N2 O2 C[C@@H]1Cc....
64 1G5Y - REA C20 H28 O2 CC1=C(C(CC....
65 3PCU - LX8 C21 H24 O5 CC(=O)OC(C....
66 5MKJ - 4CU C21 H22 O4 CCCOc1ccc(....
67 1FBY Kd = 1.5 nM 9CR C20 H28 O2 CC1=C(C(CC....
68 4N5G ic50 = 14.5 uM K09 C23 H23 F N4 CC1=C(c2cc....
69 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
70 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
71 2PJL ic50 = 190 nM 047 C23 H28 N2 Cc1ccc(cc1....
72 2JJ3 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
73 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
74 5TOA - EST C18 H24 O2 C[C@]12CC[....
75 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
76 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCC[C@@]1....
77 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
78 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
79 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
80 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1[....
81 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
82 2FSZ - OHT C26 H29 N O2 CC/C(=C(c1....
83 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
84 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
85 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
86 6I61 Kd = 569 nM H3W C16 H18 O2 CCC(C)(c1c....
87 6I66 Kd = 182.5 nM H4Q C10 H14 O CC[C@@H](C....
88 6I64 Kd = 48.7 nM H48 C14 H14 O2 CC(c1ccc(c....
89 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
90 1S9P - DES C18 H20 O2 CC/C(=C(/C....
91 6I67 Kd = 201.4 nM H42 C10 H12 O c1cc2c(cc1....
92 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
93 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CC/C(=C(c1....
94 6I65 Kd = 390.4 nM H3Z C9 H12 O CC(C)c1ccc....
95 6I62 Kd = 157.3 nM 27N C14 H11 Cl3 O2 c1cc(ccc1C....
96 2GPU - OHT C26 H29 N O2 CC/C(=C(c1....
97 6I63 Kd = 98 nM 2OH C15 H16 O2 CC(C)(c1cc....
98 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
99 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
100 6K3N ic50 = 5.3 nM CW6 C15 H15 F O2 CC(C)(c1cc....
101 1S9Q - OHT C26 H29 N O2 CC/C(=C(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 43M; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 43M 1 1
2 2MP 0.5 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: 43M; Similar ligands found: 998
No: Ligand Similarity coefficient
1 34A 1.0000
2 TDR 1.0000
3 ICP 1.0000
4 4JO 1.0000
5 5UC 1.0000
6 275 1.0000
7 TH0 1.0000
8 XBZ 1.0000
9 1MC 0.9997
10 TLD 0.9992
11 XYD 0.9992
12 MWM 0.9984
13 4ZE 0.9983
14 TM7 0.9980
15 5MH 0.9979
16 2AC 0.9978
17 URF 0.9976
18 HT4 0.9968
19 MCT 0.9963
20 PYD 0.9963
21 JZ2 0.9949
22 WBU 0.9947
23 2YU 0.9945
24 A1U 0.9938
25 4JJ 0.9936
26 IUR 0.9935
27 5JC 0.9932
28 MZG 0.9927
29 4HO 0.9910
30 4CL 0.9909
31 MWJ 0.9896
32 LXC 0.9868
33 XYP 0.9864
34 BR9 0.9858
35 3ZQ 0.9848
36 Y8I 0.9847
37 27Y 0.9837
38 IDH 0.9779
39 8H8 0.9754
40 ZZT 0.9744
41 AHR 0.9728
42 HMH 0.9724
43 FYU 0.9719
44 OXE 0.9702
45 4XR 0.9697
46 40O 0.9692
47 2MH 0.9691
48 2CQ 0.9690
49 150 0.9686
50 24B 0.9684
51 45C 0.9683
52 NSP 0.9680
53 4JU 0.9677
54 RCO 0.9674
55 TC7 0.9671
56 284 0.9669
57 3Z7 0.9665
58 CAQ 0.9660
59 XYS 0.9658
60 1PT 0.9650
61 1DW 0.9645
62 1WG 0.9644
63 RIP 0.9641
64 URA 0.9639
65 CRS 0.9638
66 LG3 0.9638
67 JFD 0.9637
68 2CH 0.9636
69 FPY 0.9636
70 F4Z 0.9633
71 HTS 0.9629
72 CYT 0.9627
73 26D 0.9618
74 YAN 0.9615
75 3CH 0.9611
76 2AF 0.9610
77 BEW 0.9609
78 7CZ 0.9609
79 LG5 0.9600
80 PCR 0.9599
81 PLQ 0.9597
82 PXY 0.9597
83 0MK 0.9596
84 25R 0.9594
85 NK 0.9590
86 L89 0.9590
87 4CH 0.9589
88 93Q 0.9583
89 1AN 0.9581
90 6X8 0.9580
91 938 0.9575
92 JIF 0.9574
93 HQE 0.9574
94 LG4 0.9573
95 8LG 0.9566
96 4ZC 0.9565
97 HX3 0.9565
98 BVF 0.9563
99 FUL 0.9562
100 HMU 0.9561
101 BML 0.9559
102 92Z 0.9558
103 FUC 0.9553
104 FP2 0.9550
105 4HS 0.9548
106 285 0.9548
107 RSF 0.9548
108 FPN 0.9547
109 76X 0.9544
110 T6C 0.9542
111 8GF 0.9541
112 JZ3 0.9535
113 0TR 0.9532
114 4JN 0.9531
115 TH7 0.9528
116 IOL 0.9523
117 DA1 0.9519
118 ARB 0.9513
119 DFU 0.9510
120 4H2 0.9506
121 0R0 0.9499
122 BTE 0.9495
123 7MH 0.9492
124 10L 0.9490
125 F81 0.9488
126 TMZ 0.9487
127 M3T 0.9485
128 CIG 0.9484
129 9DA 0.9484
130 ADE 0.9483
131 25W 0.9483
132 B3R 0.9478
133 DUC 0.9477
134 JAE 0.9473
135 BP1 0.9466
136 4XX 0.9464
137 HPA 0.9463
138 6MP 0.9460
139 7WA 0.9457
140 9HX 0.9455
141 HBA 0.9452
142 PYG 0.9452
143 7HP 0.9450
144 HEW 0.9443
145 G6D 0.9443
146 TMT 0.9438
147 BZX 0.9434
148 DEN 0.9434
149 FCA 0.9430
150 BZF 0.9425
151 BZI 0.9424
152 GLC 0.9424
153 6AI 0.9419
154 23A 0.9419
155 ES4 0.9416
156 3XX 0.9413
157 HGQ 0.9411
158 PM6 0.9411
159 IND 0.9411
160 M1A 0.9403
161 ABE 0.9402
162 PHB 0.9401
163 FPI 0.9401
164 KOJ 0.9400
165 GVH 0.9391
166 H4N 0.9389
167 0CT 0.9388
168 FK1 0.9386
169 XXR 0.9386
170 TBP 0.9385
171 4JP 0.9385
172 ES9 0.9382
173 F05 0.9381
174 F0J 0.9380
175 HAI 0.9380
176 ES0 0.9379
177 B53 0.9379
178 11S 0.9377
179 H3M 0.9377
180 0R1 0.9375
181 XQ0 0.9371
182 67N 0.9370
183 V55 0.9370
184 5MI 0.9369
185 AMC 0.9369
186 LZ1 0.9367
187 MPI 0.9367
188 F60 0.9367
189 3MC 0.9366
190 282 0.9366
191 MBD 0.9365
192 2C9 0.9363
193 SVN 0.9362
194 2MY 0.9361
195 3CE 0.9356
196 CXL 0.9353
197 CWM 0.9353
198 ADZ 0.9352
199 GMN 0.9351
200 3FA 0.9351
201 2K4 0.9351
202 14O 0.9351
203 5MB 0.9351
204 7B4 0.9350
205 FFP 0.9346
206 0RW 0.9346
207 CYH 0.9346
208 9EW 0.9345
209 7W4 0.9345
210 6MH 0.9344
211 ECE 0.9343
212 J1Z 0.9343
213 KKN 0.9342
214 2CM 0.9342
215 1XX 0.9339
216 FLM 0.9337
217 DFB 0.9337
218 ISN 0.9335
219 NOJ 0.9334
220 5H1 0.9334
221 6M9 0.9332
222 286 0.9331
223 JZ1 0.9331
224 HPY 0.9330
225 QWN 0.9328
226 270 0.9324
227 Q88 0.9322
228 8NY 0.9319
229 C2B 0.9319
230 IDM 0.9316
231 AX7 0.9314
232 4M4 0.9314
233 HHQ 0.9311
234 3M0 0.9310
235 RIB 0.9309
236 HBX 0.9305
237 DUB 0.9304
238 4VP 0.9304
239 F5B 0.9302
240 GBD 0.9300
241 DBH 0.9294
242 IT2 0.9289
243 3HA 0.9288
244 V1L 0.9287
245 SAL 0.9286
246 QUZ 0.9285
247 3DM 0.9284
248 HQY 0.9283
249 64K 0.9282
250 5Q0 0.9282
251 QXW 0.9282
252 2D0 0.9280
253 1NP 0.9280
254 5SG 0.9278
255 5WV 0.9278
256 6M4 0.9278
257 FE DB1 0.9277
258 5IQ 0.9277
259 SYN 0.9276
260 HLR 0.9276
261 3F0 0.9275
262 NBZ 0.9275
263 FUF 0.9273
264 RAM 0.9273
265 YHO 0.9272
266 ABN 0.9270
267 5NU 0.9270
268 YCP 0.9268
269 BEZ 0.9267
270 MLT 0.9266
271 ABV 0.9265
272 ES1 0.9264
273 ES7 0.9264
274 XM0 0.9263
275 13X 0.9263
276 NPY 0.9262
277 ICC 0.9262
278 AX2 0.9260
279 G2F 0.9260
280 9DG 0.9259
281 IPH 0.9259
282 DMD 0.9259
283 P92 0.9259
284 OXQ 0.9258
285 4JL 0.9258
286 2A9 0.9256
287 H8N 0.9256
288 BR8 0.9256
289 2MI 0.9255
290 5ZE 0.9253
291 DGJ 0.9252
292 GCS 0.9252
293 1SQ 0.9251
294 BEN 0.9251
295 HY3 0.9251
296 N5J 0.9249
297 BCP 0.9249
298 1LQ 0.9248
299 23W 0.9248
300 JBE 0.9246
301 KIV 0.9246
302 LMR 0.9244
303 IFL 0.9244
304 HIU 0.9244
305 PY7 0.9243
306 5AN 0.9243
307 5RG 0.9242
308 GAG 0.9242
309 DOB 0.9241
310 FA0 0.9241
311 4YS 0.9241
312 JPZ 0.9241
313 3AY 0.9238
314 1P7 0.9235
315 GYE 0.9233
316 DTL 0.9232
317 03V 0.9231
318 2ZX 0.9227
319 NOY 0.9227
320 PYF 0.9226
321 NCA 0.9225
322 QOS 0.9225
323 GTQ 0.9225
324 1XM 0.9224
325 6PC 0.9224
326 G3F 0.9224
327 BOA 0.9223
328 6UA 0.9222
329 4SV 0.9222
330 4M0 0.9220
331 3MH 0.9220
332 24W 0.9220
333 2DR 0.9219
334 FCB 0.9219
335 9X7 0.9219
336 5AC 0.9219
337 JZ9 0.9218
338 BGC 0.9218
339 TM4 0.9217
340 ERH 0.9216
341 ES6 0.9215
342 1LM 0.9214
343 AZF 0.9213
344 SOE 0.9212
345 IFM 0.9211
346 3U4 0.9210
347 GUN 0.9210
348 6CS 0.9209
349 6HQ 0.9208
350 4XH 0.9208
351 HH8 0.9208
352 5CU 0.9208
353 MAK 0.9208
354 M58 0.9207
355 JAB 0.9207
356 4HM 0.9205
357 FBA 0.9204
358 DTI 0.9200
359 WDL 0.9198
360 XAN 0.9197
361 3ID 0.9197
362 94N 0.9194
363 BE2 0.9193
364 AZA 0.9193
365 3RK 0.9193
366 VAL 0.9193
367 XBT 0.9193
368 C2A 0.9191
369 6AP 0.9188
370 WOT 0.9187
371 2KT 0.9187
372 60P 0.9186
373 4FS 0.9185
374 OAA 0.9185
375 A2Q 0.9182
376 2AQ 0.9181
377 3AP 0.9181
378 MNM 0.9181
379 JB5 0.9180
380 MBN 0.9180
381 YTB 0.9180
382 BHA 0.9179
383 A2F 0.9178
384 CFP 0.9176
385 COU 0.9176
386 82I 0.9175
387 PRO 0.9175
388 2PC 0.9174
389 4NC 0.9173
390 GXE 0.9172
391 DTU 0.9171
392 BAM 0.9171
393 2AP 0.9171
394 HRZ 0.9171
395 ES5 0.9170
396 FOA 0.9170
397 290 0.9169
398 2CK 0.9169
399 ARA 0.9168
400 25T 0.9168
401 HVK 0.9167
402 EXO 0.9167
403 RM4 0.9167
404 JZ0 0.9166
405 36R 0.9166
406 8S0 0.9164
407 1XN 0.9163
408 4AP 0.9162
409 2IM 0.9162
410 5CL 0.9161
411 YH7 0.9160
412 5B1 0.9158
413 1DH 0.9158
414 NMJ 0.9158
415 1MR 0.9158
416 7VJ 0.9157
417 AZG 0.9157
418 S76 0.9156
419 PYC 0.9155
420 8GC 0.9154
421 JLZ 0.9153
422 GAL 0.9152
423 24T 0.9151
424 9PO 0.9151
425 EUG 0.9151
426 NEQ 0.9150
427 IGA 0.9150
428 OXZ 0.9150
429 DGY 0.9148
430 280 0.9146
431 OHG 0.9145
432 TZC 0.9145
433 G4D 0.9143
434 MYJ 0.9142
435 2A7 0.9141
436 R8A 0.9141
437 NIO 0.9141
438 R2B 0.9140
439 DX4 0.9140
440 TP5 0.9139
441 DXX 0.9138
442 4CS 0.9138
443 8CL 0.9137
444 1WD 0.9136
445 2XX 0.9134
446 0CU 0.9133
447 FDB 0.9133
448 NBE 0.9132
449 DHB 0.9132
450 IPB 0.9130
451 ASO 0.9130
452 141 0.9130
453 H42 0.9127
454 CLW 0.9126
455 OCH 0.9125
456 VGD 0.9125
457 LGA 0.9124
458 P9P 0.9121
459 93K 0.9120
460 RNS 0.9119
461 DMG 0.9119
462 5M0 0.9118
463 5VM 0.9118
464 ADK 0.9116
465 TCZ 0.9116
466 3MA 0.9116
467 PZA 0.9116
468 PXL 0.9115
469 L3Q 0.9115
470 R8S 0.9115
471 LDU 0.9113
472 VNJ 0.9112
473 KSW 0.9111
474 KG7 0.9110
475 54G 0.9109
476 DSN 0.9109
477 MB3 0.9108
478 DAB 0.9107
479 14J 0.9107
480 4A3 0.9106
481 1P8 0.9105
482 3HM 0.9105
483 7WV 0.9103
484 GOO 0.9103
485 PBC 0.9102
486 FHB 0.9101
487 JKE 0.9100
488 ET2 0.9099
489 9TZ 0.9098
490 JBN 0.9096
491 K2T 0.9093
492 4JM 0.9093
493 HSE 0.9092
494 7HQ 0.9092
495 HH5 0.9092
496 FBB 0.9091
497 1AB 0.9091
498 XX2 0.9090
499 NPO 0.9089
500 INO 0.9089
501 E60 0.9089
502 GXY 0.9088
503 MFB 0.9086
504 KJY 0.9086
505 CEJ 0.9086
506 VGL 0.9085
507 5MK 0.9085
508 PCA 0.9085
509 QSC 0.9084
510 6GU 0.9084
511 12M 0.9082
512 CYS 0.9082
513 3NT 0.9081
514 0P6 0.9079
515 NNO 0.9076
516 3DO 0.9075
517 NTN 0.9074
518 EQT 0.9074
519 EDG 0.9071
520 2HO 0.9071
521 URC 0.9071
522 7EX 0.9071
523 HHA 0.9070
524 47J 0.9069
525 BP9 0.9068
526 B55 0.9065
527 75K 0.9064
528 KT7 0.9064
529 ISE 0.9064
530 UNU 0.9063
531 BTY 0.9061
532 3AB 0.9060
533 OVV 0.9060
534 260 0.9059
535 RSO 0.9059
536 MLI 0.9057
537 AC0 0.9056
538 PXM 0.9055
539 MMZ 0.9054
540 TAR 0.9051
541 SER 0.9049
542 3HB 0.9049
543 APY 0.9048
544 273 0.9047
545 I3A 0.9046
546 ES2 0.9045
547 6LW 0.9044
548 SS1 0.9043
549 2EC 0.9043
550 0W8 0.9042
551 SX1 0.9041
552 BE7 0.9041
553 3PY 0.9039
554 KYD 0.9038
555 URQ 0.9038
556 5JQ 0.9037
557 IF7 0.9036
558 P3K 0.9035
559 MRY 0.9035
560 TTO 0.9033
561 SWD 0.9032
562 PYJ 0.9031
563 C5J 0.9031
564 B57 0.9031
565 QWW 0.9031
566 LZM 0.9031
567 CHB 0.9030
568 9TY 0.9030
569 VNL 0.9029
570 5HN 0.9029
571 8CM 0.9029
572 KUF 0.9029
573 FAN 0.9027
574 RM1 0.9027
575 CWS 0.9026
576 LCN 0.9025
577 WOO 0.9025
578 XAZ 0.9024
579 Q24 0.9023
580 GAB 0.9023
581 QX2 0.9022
582 BRT 0.9021
583 3SK 0.9021
584 ALL 0.9021
585 FQI 0.9020
586 HYN 0.9018
587 IHB 0.9018
588 M5K 0.9014
589 ALO 0.9014
590 HHN 0.9012
591 HSL 0.9012
592 1DU 0.9012
593 M6N 0.9011
594 WCE 0.9010
595 9TW 0.9010
596 O7U 0.9009
597 5JL 0.9009
598 2FG 0.9009
599 MLA 0.9008
600 717 0.9007
601 35C 0.9005
602 CRN 0.9004
603 RP7 0.9004
604 GIO 0.9003
605 GLA 0.9002
606 265 0.9001
607 PE0 0.8999
608 ASN 0.8999
609 86J 0.8997
610 8TX 0.8996
611 3BZ 0.8995
612 53C 0.8995
613 YIO 0.8995
614 9CL 0.8994
615 X6X 0.8994
616 ZBT 0.8994
617 INS 0.8993
618 TFB 0.8991
619 Z6J 0.8991
620 MEW 0.8989
621 C21 0.8989
622 2H5 0.8989
623 CIZ 0.8989
624 PAB 0.8988
625 Z82 0.8987
626 URP 0.8986
627 9MG 0.8984
628 H76 0.8984
629 AQO 0.8978
630 PIH 0.8977
631 42A 0.8977
632 LRH 0.8977
633 PAF 0.8973
634 XQG 0.8973
635 M2H 0.8972
636 FPK 0.8970
637 AZ8 0.8965
638 GRE 0.8965
639 MR1 0.8964
640 JFJ 0.8963
641 8WO 0.8962
642 KIB 0.8961
643 LGC 0.8960
644 MSN 0.8960
645 DMI 0.8959
646 MAE 0.8957
647 HGW 0.8956
648 5XC 0.8955
649 2ZV 0.8955
650 6F0 0.8954
651 NVI 0.8954
652 GIV 0.8954
653 L60 0.8953
654 ASP 0.8953
655 8IG 0.8952
656 NIZ 0.8952
657 FP1 0.8947
658 4MA 0.8944
659 5OB 0.8943
660 E7Z 0.8943
661 XRG 0.8942
662 THR 0.8942
663 149 0.8942
664 4AA 0.8941
665 SEJ 0.8941
666 VOH 0.8937
667 MZ0 0.8936
668 32X 0.8935
669 DHK 0.8935
670 PA1 0.8935
671 HBD 0.8934
672 93B 0.8933
673 A7W 0.8931
674 39A 0.8931
675 BZ3 0.8931
676 AJ2 0.8928
677 JBK 0.8928
678 261 0.8928
679 XIX 0.8927
680 278 0.8926
681 XUL 0.8926
682 UGC 0.8925
683 LDP 0.8925
684 FRU 0.8924
685 HJP 0.8923
686 BCF 0.8922
687 GXL 0.8921
688 BHO 0.8919
689 BSX 0.8918
690 6M1 0.8917
691 SW7 0.8916
692 7W1 0.8916
693 174 0.8916
694 DIE 0.8916
695 GIF 0.8914
696 1P3 0.8910
697 IP0 0.8910
698 PCI 0.8910
699 BBF 0.8910
700 UNC 0.8909
701 1Y6 0.8906
702 4HC 0.8904
703 PBZ 0.8904
704 AC6 0.8903
705 826 0.8903
706 AGK 0.8902
707 FOT 0.8900
708 DIN 0.8899
709 KBG 0.8899
710 SWA 0.8899
711 M1E 0.8897
712 FLA 0.8895
713 5QX 0.8895
714 3OC 0.8893
715 C2U 0.8892
716 DIU 0.8892
717 XIY 0.8892
718 GAF 0.8892
719 UEG 0.8890
720 P72 0.8888
721 BDP 0.8886
722 DQN 0.8885
723 4Z4 0.8885
724 2HQ 0.8885
725 MAN 0.8882
726 MBG 0.8882
727 F3B 0.8881
728 A65 0.8880
729 IBF 0.8880
730 F9Y 0.8880
731 SMV 0.8879
732 M1Q 0.8878
733 BMA 0.8876
734 3Z8 0.8875
735 MZW 0.8875
736 MRW 0.8875
737 IJZ 0.8875
738 OXC 0.8874
739 P2D 0.8872
740 7WG 0.8872
741 CXF 0.8871
742 PZI 0.8870
743 HFB 0.8870
744 LER 0.8869
745 PRS 0.8868
746 R1X 0.8868
747 ISZ 0.8865
748 HXX 0.8864
749 1GN 0.8862
750 G5V 0.8862
751 12Q 0.8860
752 BVC 0.8860
753 MO8 0.8859
754 IMR 0.8858
755 4FA 0.8857
756 TTL 0.8856
757 RUU 0.8855
758 ITN 0.8855
759 2LP 0.8854
760 4PW 0.8851
761 IV2 0.8850
762 DMJ 0.8850
763 4JT 0.8849
764 42J 0.8849
765 ABA 0.8848
766 ZZ3 0.8848
767 JBH 0.8846
768 GLU 0.8845
769 3WA 0.8844
770 SKA 0.8842
771 DAS 0.8840
772 HQT 0.8840
773 PZM 0.8839
774 DRL 0.8839
775 TLA 0.8839
776 J9W 0.8838
777 SHG 0.8837
778 RHU 0.8834
779 ORO 0.8834
780 O72 0.8833
781 ILE 0.8833
782 1LN 0.8828
783 KJH 0.8826
784 8WT 0.8826
785 FUB 0.8825
786 KPL 0.8821
787 9YL 0.8820
788 SS2 0.8820
789 4AX 0.8820
790 CGB 0.8819
791 4YO 0.8816
792 PKU 0.8815
793 FDK 0.8814
794 34D 0.8813
795 MQN 0.8812
796 HZQ 0.8811
797 F31 0.8810
798 AFR 0.8809
799 NXA 0.8808
800 JBQ 0.8807
801 G3E 0.8807
802 PQ0 0.8805
803 DYA 0.8805
804 AW5 0.8804
805 DHQ 0.8803
806 2RA 0.8802
807 1M2 0.8802
808 DOR 0.8801
809 DBB 0.8800
810 SRT 0.8799
811 M0Q 0.8799
812 MT0 0.8799
813 TEO 0.8798
814 HIO 0.8797
815 FBM 0.8796
816 AUD 0.8795
817 EKZ 0.8793
818 7VS 0.8791
819 MWP 0.8790
820 JZ5 0.8789
821 PFB 0.8787
822 JZ4 0.8779
823 5WX 0.8778
824 AAE 0.8778
825 NDM 0.8775
826 4JQ 0.8774
827 FBV 0.8774
828 HLZ 0.8773
829 0TU 0.8773
830 MUA 0.8773
831 3SL 0.8773
832 UY7 0.8773
833 XHP 0.8772
834 7MU 0.8771
835 1U6 0.8768
836 SKM 0.8765
837 RB5 0.8764
838 EA1 0.8763
839 CFI 0.8759
840 69O 0.8758
841 GDE 0.8758
842 LT2 0.8757
843 TIU 0.8754
844 2BG 0.8753
845 EYK 0.8752
846 CTL 0.8752
847 IPZ 0.8751
848 B24 0.8751
849 PRY 0.8750
850 LKA 0.8750
851 D1X 0.8749
852 SE2 0.8749
853 3V4 0.8748
854 DBJ 0.8747
855 40E 0.8747
856 FGZ 0.8746
857 5QY 0.8744
858 3PF 0.8744
859 J5I 0.8744
860 AEF 0.8743
861 Q6T 0.8741
862 M2K 0.8741
863 TZE 0.8740
864 DPR 0.8740
865 IFP 0.8738
866 BNS 0.8736
867 HVQ 0.8734
868 PBR 0.8733
869 6RQ 0.8732
870 495 0.8731
871 I1N 0.8731
872 EV0 0.8730
873 SYV 0.8728
874 SIN 0.8728
875 4XV 0.8722
876 5RO 0.8722
877 5RN 0.8721
878 F9P 0.8719
879 1DV 0.8717
880 95Z 0.8717
881 LYL 0.8717
882 ZXD 0.8710
883 OTW 0.8710
884 JA8 0.8710
885 XYL 0.8710
886 HYP 0.8710
887 FH2 0.8709
888 192 0.8709
889 D48 0.8707
890 OK7 0.8707
891 44W 0.8706
892 DCY 0.8706
893 BVG 0.8705
894 TEP 0.8702
895 948 0.8700
896 R8V 0.8700
897 8ZE 0.8699
898 MRZ 0.8698
899 32O 0.8697
900 2AK 0.8696
901 KP6 0.8696
902 PEL 0.8695
903 BDF 0.8694
904 7NI 0.8694
905 PYQ 0.8694
906 DQU 0.8689
907 GLF 0.8688
908 PRF 0.8687
909 PEP 0.8687
910 4XS 0.8686
911 3FH 0.8686
912 HZP 0.8685
913 173 0.8678
914 X0V 0.8677
915 42C 0.8674
916 TWO 0.8674
917 SHA 0.8673
918 3MT 0.8673
919 2MN 0.8672
920 3MB 0.8672
921 3IT 0.8671
922 TSU 0.8671
923 AKH 0.8669
924 HCS 0.8668
925 I2M 0.8667
926 ICO 0.8667
927 94B 0.8665
928 AKB 0.8657
929 ARW 0.8656
930 GLT 0.8654
931 B62 0.8654
932 B60 0.8651
933 JXN 0.8649
934 AZ9 0.8647
935 ANN 0.8645
936 6KX 0.8642
937 HY1 0.8641
938 YRL 0.8640
939 TFU 0.8640
940 QBK 0.8640
941 XLS 0.8639
942 FA1 0.8638
943 NTM 0.8637
944 DBX 0.8636
945 0JD 0.8635
946 GJS 0.8634
947 DHS 0.8631
948 0FO 0.8631
949 680 0.8630
950 MVN 0.8628
951 AMT 0.8627
952 BEA 0.8619
953 QAT 0.8619
954 51R 0.8619
955 DHR 0.8619
956 TGX 0.8617
957 MET 0.8613
958 HQD 0.8611
959 37T 0.8609
960 PBE 0.8609
961 BAE 0.8608
962 VK3 0.8605
963 2AL 0.8604
964 KJU 0.8604
965 NQ 0.8603
966 SF9 0.8603
967 M0W 0.8601
968 LSA 0.8599
969 K17 0.8599
970 92K 0.8598
971 2FY 0.8595
972 TBS 0.8592
973 ZWZ 0.8591
974 ASC 0.8587
975 N2I 0.8586
976 EOL 0.8584
977 H7Y 0.8580
978 QSB 0.8580
979 ODO 0.8578
980 MFU 0.8572
981 XCZ 0.8570
982 PHU 0.8570
983 LFR 0.8568
984 KDV 0.8568
985 AEH 0.8565
986 0HO 0.8560
987 44V 0.8558
988 12B 0.8556
989 QAS 0.8555
990 OW4 0.8553
991 SFU 0.8550
992 SXS 0.8549
993 FBT 0.8545
994 NDH 0.8536
995 FB1 0.8535
996 G1O 0.8519
997 SJ5 0.8508
998 N8P 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6K3N; Ligand: CW6; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 6k3n.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5HCV 60R 34.3612
2 2A3I C0R 34.3612
3 5HCV 60R 34.3612
4 5HCV 60R 34.3612
5 5L7G 6QE 34.8018
6 4UDB CV7 34.8018
7 6GGG EYN 34.8018
8 1M2Z DEX 37.0044
9 1M2Z DEX 37.0044
10 4LSJ LSJ 37.4449
11 4LSJ LSJ 37.4449
12 3RY9 1CA 37.4449
13 3RY9 1CA 37.4449
14 2Q1H AS4 37.8855
15 4OAR 2S0 38.326
16 3GN8 DEX 38.7665
17 3GN8 DEX 38.7665
18 6W9K TUA 38.7665
19 5UFS 1TA 38.7665
20 5UFS 1TA 38.7665
21 6NWK DEX 39.2071
22 4P6X HCY 42.8571
23 4P6X HCY 42.8571
24 4P6X HCY 42.8571
25 4P6X HCY 42.8571
26 4P6X HCY 42.8571
27 4E2J MOF 50
28 4E2J MOF 50
29 4P6W MOF 50
Pocket No.: 2; Query (leader) PDB : 6K3N; Ligand: CW6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6k3n.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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