Receptor
PDB id Resolution Class Description Source Keywords
6PGU 1.72 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE P300 ACETYLTRANSFERASE DOMAIN WITH INHIBITOR CPI-076 AND COA HOMO SAPIENS EP300 P300 ACETYLTRANSFERASE CHROMATIN MODIFICATION EPIGEINHIBITOR ALLOSTERIC TRANSFERASE TRANSFERASE-INHIBITOR C
Ref.: MAKE THE RIGHT MEASUREMENT: DISCOVERY OF AN ALLOSTE INHIBITION SITE FOR P300-HAT. STRUCT DYN. V. 6 54702 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OK7 B:1702;
A:1702;
 Valid;
Valid;
 none;
none;
 ic50 = 20 uM
141.191 C6 H7 N O S CC(=O...
COA B:1701;
A:1701;
 Valid;
Valid;
 none;
none;
 submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6V90 2.04 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE P300 ACETYLTRANSFERASE DOMAIN WITH COMPETITIVE INHIBITOR 12 HOMO SAPIENS EPIGENETICS CHROMATIN WRITER TRANSFERASE TRANSFERASE-INHCOMPLEX
Ref.: EARLY DRUG-DISCOVERY EFFORTS TOWARDS THE IDENTIFICA EP300/CBP HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR CHEMMEDCHEM V. 15 955 2020
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 6PGU ic50 = 20 uM OK7 C6 H7 N O S CC(=O)Nc1c....
2 6PF1 ic50 = 39 uM OJ7 C15 H10 Cl F3 N2 Cc1c(c2ccc....
3 6V90 ic50 = 0.0088 uM QSD C26 H24 N6 O Cn1cc(cn1)....
4 6V8N - QS1 C27 H26 N6 O C[C@H](CN[....
5 3BIY - 01K C31 H53 N10 O19 P3 S CC(=O)N[C@....
6 6V8K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
7 4PZR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 4PZS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 6PGU ic50 = 20 uM OK7 C6 H7 N O S CC(=O)Nc1c....
2 6PF1 ic50 = 39 uM OJ7 C15 H10 Cl F3 N2 Cc1c(c2ccc....
3 6V90 ic50 = 0.0088 uM QSD C26 H24 N6 O Cn1cc(cn1)....
4 6V8N - QS1 C27 H26 N6 O C[C@H](CN[....
5 3BIY - 01K C31 H53 N10 O19 P3 S CC(=O)N[C@....
6 6V8K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
7 4PZR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 4PZS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 6PGU ic50 = 20 uM OK7 C6 H7 N O S CC(=O)Nc1c....
2 6PF1 ic50 = 39 uM OJ7 C15 H10 Cl F3 N2 Cc1c(c2ccc....
3 6V90 ic50 = 0.0088 uM QSD C26 H24 N6 O Cn1cc(cn1)....
4 6V8N - QS1 C27 H26 N6 O C[C@H](CN[....
5 3BIY - 01K C31 H53 N10 O19 P3 S CC(=O)N[C@....
6 6V8K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
7 4PZR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 4PZS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
9 5LKT - BCO C25 H42 N7 O17 P3 S CCCC(=O)SC....
10 5LKZ - COO C25 H40 N7 O17 P3 S CC=CC(=O)S....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OK7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 OK7 1 1
Ligand no: 2; Ligand: COA; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 30N 0.871795 0.913979
7 CAO 0.871795 0.965909
8 AMX 0.871795 0.988235
9 SCO 0.864407 0.976744
10 CMX 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 FYN 0.842975 1
16 3KK 0.842975 0.977012
17 OXK 0.836066 0.977012
18 KGP 0.836066 0.885417
19 SOP 0.836066 0.977012
20 YZS 0.836066 0.885417
21 COK 0.836066 0.977012
22 MCD 0.836066 0.954545
23 CA6 0.836066 0.885417
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CO6 0.829268 0.977012
27 NMX 0.829268 0.903226
28 CAJ 0.822581 0.954545
29 2MC 0.822581 0.934066
30 SCD 0.822581 0.976744
31 2CP 0.81746 0.965909
32 3HC 0.816 0.988372
33 KGJ 0.816 0.893617
34 A1S 0.816 0.977012
35 MLC 0.816 0.977012
36 BCO 0.816 0.977012
37 IVC 0.816 0.988372
38 1HE 0.816 0.955056
39 COD 0.810345 0.988235
40 CAA 0.809524 0.988372
41 MCA 0.809524 0.965909
42 SO5 0.809524 0.876289
43 YE1 0.809524 0.965517
44 COO 0.809524 0.977012
45 LCV 0.809524 0.876289
46 YXS 0.80315 0.885417
47 MC4 0.80315 0.923913
48 YXR 0.80315 0.885417
49 SCA 0.80315 0.977012
50 KGA 0.796875 0.884211
51 HGG 0.796875 0.977012
52 BYC 0.796875 0.977012
53 3CP 0.796875 0.977012
54 COW 0.796875 0.965909
55 CA8 0.796875 0.885417
56 1GZ 0.796875 0.965909
57 KFV 0.796875 0.894737
58 IRC 0.796875 0.988372
59 COF 0.796875 0.955056
60 2KQ 0.796875 0.955056
61 4CA 0.790698 0.965909
62 FAQ 0.790698 0.977012
63 BCA 0.790698 0.965909
64 HXC 0.784615 0.955056
65 GRA 0.784615 0.977012
66 1CV 0.781955 0.977012
67 TGC 0.778626 0.965909
68 1CZ 0.772727 0.965909
69 S0N 0.772727 0.954545
70 CO8 0.772727 0.955056
71 2NE 0.772727 0.955056
72 CIC 0.772727 0.977012
73 MYA 0.766917 0.955056
74 0FQ 0.766917 0.977012
75 DCC 0.766917 0.955056
76 5F9 0.766917 0.955056
77 UCC 0.766917 0.955056
78 MFK 0.766917 0.955056
79 ST9 0.766917 0.955056
80 4CO 0.766917 0.965909
81 01A 0.761194 0.934066
82 0ET 0.761194 0.955056
83 CS8 0.755556 0.944444
84 WCA 0.755556 0.955056
85 NHW 0.75 0.955056
86 HDC 0.75 0.955056
87 NHM 0.75 0.955056
88 4KX 0.75 0.944444
89 UOQ 0.75 0.955056
90 HFQ 0.744526 0.955056
91 MRS 0.744526 0.955056
92 MRR 0.744526 0.955056
93 J5H 0.73913 0.977012
94 YNC 0.73913 0.965909
95 DAK 0.73913 0.944444
96 COA FLC 0.736 0.965116
97 8Z2 0.733813 0.944444
98 NHQ 0.723404 0.988372
99 F8G 0.715278 0.913979
100 1HA 0.713287 0.955056
101 01K 0.708333 0.977012
102 COT 0.703448 0.977012
103 CCQ 0.695652 0.934066
104 CA3 0.693878 0.977012
105 7L1 0.692308 0.965909
106 RMW 0.682119 0.955056
107 CA5 0.671053 0.934066
108 93P 0.666667 0.965909
109 UCA 0.666667 0.955056
110 CO7 0.664234 0.977012
111 N9V 0.647887 0.922222
112 93M 0.64557 0.965909
113 OXT 0.634146 0.913979
114 4BN 0.607143 0.913979
115 5TW 0.607143 0.913979
116 BUA COA 0.605634 0.943182
117 PAP 0.603604 0.811765
118 JBT 0.598837 0.894737
119 BSJ 0.592814 0.944444
120 6NA COA 0.585034 0.922222
121 HMG 0.581081 0.943182
122 MYR COA 0.573333 0.922222
123 EO3 COA 0.573333 0.922222
124 DAO COA 0.573333 0.922222
125 DCR COA 0.573333 0.922222
126 X90 COA 0.573333 0.922222
127 DKA COA 0.573333 0.922222
128 PLM COA 0.573333 0.922222
129 A3P 0.54955 0.8
130 PPS 0.547009 0.752688
131 ASP ASP ASP ILE NH2 CMC 0.536585 0.932584
132 0WD 0.521739 0.788889
133 SFC 0.490683 0.955056
134 RFC 0.490683 0.955056
135 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
136 3AM 0.482143 0.788235
137 PTJ 0.48062 0.872093
138 MET VAL ASN ALA CMC 0.480447 0.932584
139 4PS 0.477477 0.682353
140 5AD NJS 0.47619 0.913043
141 A22 0.468254 0.813953
142 A2D 0.465517 0.802326
143 PUA 0.462585 0.820225
144 PAJ 0.460938 0.883721
145 HQG 0.460317 0.813953
146 ATR 0.459016 0.8
147 AGS 0.459016 0.806818
148 3OD 0.458015 0.825581
149 ADP 0.453782 0.823529
150 9BG 0.451389 0.788889
151 A2R 0.448819 0.813953
152 8LE 0.448 0.848837
153 ACE MET LEU GLY PRO NH2 COA 0.447917 0.932584
154 UBG 0.447853 0.844444
155 BA3 0.445378 0.802326
156 OAD 0.442748 0.825581
157 NA7 0.442748 0.858824
158 ATP 0.442623 0.823529
159 HEJ 0.442623 0.823529
160 AP5 0.441667 0.802326
161 B4P 0.441667 0.802326
162 5FA 0.439024 0.823529
163 2A5 0.439024 0.847059
164 APR 0.439024 0.802326
165 AR6 0.439024 0.802326
166 AQP 0.439024 0.823529
167 AT4 0.438017 0.816092
168 AN2 0.438017 0.813953
169 48N 0.435714 0.808989
170 JNT 0.435115 0.847059
171 M33 0.434426 0.813953
172 QA7 0.434109 0.848837
173 8LQ 0.434109 0.837209
174 9X8 0.431818 0.806818
175 SRP 0.429688 0.837209
176 ANP 0.428571 0.804598
177 ADQ 0.427481 0.804598
178 YLB 0.426573 0.908046
179 YLP 0.425532 0.886364
180 5AL 0.425197 0.813953
181 7D3 0.425 0.793103
182 AD9 0.424 0.804598
183 APU 0.423611 0.786517
184 CA0 0.422764 0.804598
185 7D4 0.422764 0.793103
186 25L 0.422222 0.813953
187 ATF 0.421875 0.795455
188 F2R 0.421769 0.865169
189 NJP 0.421769 0.806818
190 A2P 0.421488 0.788235
191 8QN 0.419847 0.813953
192 PNS 0.419643 0.682353
193 ACP 0.419355 0.825581
194 KG4 0.419355 0.804598
195 8LH 0.418605 0.837209
196 J4G 0.41791 0.848837
197 NDP 0.417808 0.788889
198 ACQ 0.417323 0.825581
199 A1R 0.416667 0.882353
200 ATP A 0.416058 0.770115
201 ATP A A A 0.416058 0.770115
202 AMP 0.415254 0.8
203 A 0.415254 0.8
204 1ZZ 0.414815 0.842697
205 TXA 0.414815 0.816092
206 FYA 0.414815 0.813953
207 NB8 0.414815 0.808989
208 00A 0.413534 0.758242
209 DLL 0.413534 0.793103
210 AHX 0.413534 0.829545
211 PAX 0.412903 0.793478
212 DQV 0.411348 0.813953
213 OMR 0.409722 0.853933
214 9ZD 0.409091 0.818182
215 25A 0.409091 0.802326
216 9ZA 0.409091 0.818182
217 OOB 0.409091 0.793103
218 NPW 0.408163 0.822222
219 6YZ 0.407692 0.825581
220 WAQ 0.407407 0.860465
221 TAT 0.40625 0.816092
222 T99 0.40625 0.816092
223 4AD 0.406015 0.827586
224 AMO 0.406015 0.837209
225 A3R 0.406015 0.882353
226 B5Y 0.405797 0.786517
227 FA5 0.405797 0.816092
228 KMQ 0.405797 0.795455
229 TXP 0.405405 0.829545
230 45A 0.404959 0.781609
231 ABM 0.404959 0.781609
232 PRX 0.404762 0.825581
233 ME8 0.404412 0.842697
234 BIS 0.404412 0.818182
235 AFH 0.404255 0.78022
236 J7V 0.403846 0.778947
237 LQJ 0.402878 0.781609
238 NAI 0.402778 0.777778
239 ODP 0.402685 0.78022
240 DAL AMP 0.401515 0.793103
241 SRA 0.4 0.784091
242 ADX 0.4 0.752688
243 AU1 0.4 0.804598
Similar Ligands (3D)
Ligand no: 1; Ligand: OK7; Similar ligands found: 947
No: Ligand Similarity coefficient
1 PHU 0.9801
2 TPA 0.9777
3 MLT 0.9770
4 OAA 0.9770
5 HX2 0.9765
6 SIN 0.9751
7 BEZ 0.9742
8 CFI 0.9720
9 FUM 0.9711
10 ISZ 0.9703
11 BEN 0.9703
12 NCA 0.9697
13 PBC 0.9683
14 PAC 0.9672
15 6PC 0.9668
16 MAE 0.9660
17 AC0 0.9653
18 NIZ 0.9652
19 BAM 0.9637
20 GUA 0.9635
21 BHO 0.9632
22 NIO 0.9615
23 PHB 0.9611
24 F9P 0.9602
25 OGA 0.9601
26 NTN 0.9600
27 DYA 0.9576
28 PZI 0.9575
29 FBM 0.9572
30 VGL 0.9571
31 HSM 0.9569
32 HBD 0.9567
33 TZL 0.9563
34 ZBT 0.9563
35 JZ7 0.9556
36 SS1 0.9555
37 YCP 0.9554
38 UNU 0.9551
39 PAB 0.9544
40 LMR 0.9532
41 NPO 0.9530
42 NBZ 0.9526
43 BNS 0.9517
44 1Y6 0.9517
45 M6W 0.9516
46 ABV 0.9510
47 HSO 0.9508
48 M4T 0.9507
49 C21 0.9507
50 PIM 0.9502
51 DE5 0.9501
52 SMV 0.9496
53 ASP 0.9496
54 FEH 0.9494
55 XBT 0.9493
56 K34 0.9490
57 HIO 0.9488
58 54D 0.9487
59 173 0.9487
60 RSO 0.9486
61 PBZ 0.9484
62 PZA 0.9478
63 P72 0.9474
64 2HG 0.9473
65 AX7 0.9470
66 GLN 0.9467
67 4CS 0.9465
68 FAN 0.9450
69 PIY 0.9446
70 7N0 0.9445
71 AC6 0.9445
72 4MA 0.9444
73 PRO 0.9437
74 AKG 0.9426
75 TP5 0.9423
76 PEA 0.9422
77 826 0.9422
78 XM0 0.9418
79 2MI 0.9414
80 JBN 0.9411
81 QSC 0.9400
82 QMP 0.9396
83 GAB 0.9396
84 3HB 0.9395
85 J9T 0.9394
86 270 0.9391
87 Z82 0.9390
88 SRT 0.9387
89 OVV 0.9386
90 4JT 0.9385
91 273 0.9381
92 URS 0.9379
93 S2G 0.9377
94 H42 0.9374
95 2PC 0.9373
96 FOA 0.9372
97 I1E 0.9367
98 CXF 0.9364
99 2RH 0.9361
100 VKC 0.9361
101 I4B 0.9359
102 SPA 0.9359
103 49F 0.9355
104 XRG 0.9353
105 OKG 0.9348
106 GJZ 0.9348
107 COU 0.9347
108 268 0.9344
109 F60 0.9340
110 COI 0.9336
111 HBA 0.9335
112 OEG 0.9334
113 OCH 0.9333
114 UGC 0.9331
115 TZC 0.9331
116 3AB 0.9331
117 P92 0.9330
118 14O 0.9330
119 BE7 0.9327
120 MUC 0.9326
121 2AQ 0.9326
122 JZ5 0.9323
123 TYL 0.9323
124 03V 0.9320
125 258 0.9317
126 3NT 0.9315
127 QY9 0.9315
128 4FS 0.9312
129 5MB 0.9310
130 6AI 0.9310
131 AL0 0.9309
132 8GC 0.9309
133 2K4 0.9308
134 OTR 0.9307
135 ES5 0.9306
136 INO 0.9306
137 DQY 0.9306
138 4VP 0.9305
139 4P5 0.9305
140 HIS 0.9304
141 069 0.9303
142 5MI 0.9302
143 FQI 0.9302
144 J9N 0.9302
145 174 0.9301
146 53C 0.9301
147 5H1 0.9300
148 4WL 0.9299
149 1DU 0.9294
150 GLY GLY 0.9293
151 BZX 0.9292
152 IT2 0.9292
153 WCE 0.9292
154 SS2 0.9291
155 11S 0.9290
156 ORN 0.9290
157 4MV 0.9285
158 717 0.9282
159 ES9 0.9280
160 AMC 0.9280
161 DHB 0.9277
162 2BG 0.9277
163 ABN 0.9275
164 1PT 0.9272
165 BP9 0.9271
166 5WV 0.9270
167 NNO 0.9267
168 ASN 0.9264
169 4NC 0.9264
170 DAV 0.9262
171 JYD 0.9259
172 HY1 0.9258
173 2CK 0.9256
174 4FA 0.9255
175 URO 0.9251
176 7MU 0.9250
177 TH7 0.9250
178 FK1 0.9250
179 XYL 0.9249
180 RB5 0.9249
181 FBJ 0.9248
182 PYF 0.9248
183 GLU 0.9245
184 M58 0.9241
185 2AL 0.9236
186 265 0.9236
187 SAL 0.9234
188 BE2 0.9232
189 JLZ 0.9232
190 H4N 0.9227
191 SHA 0.9225
192 TAR 0.9224
193 SHF 0.9223
194 FB2 0.9223
195 98J 0.9221
196 HBX 0.9221
197 BRT 0.9221
198 14J 0.9220
199 93K 0.9219
200 P9P 0.9219
201 JKE 0.9218
202 DS0 0.9217
203 NLE 0.9217
204 HPS 0.9216
205 TIU 0.9216
206 FPI 0.9215
207 H95 0.9213
208 8OZ 0.9212
209 NMJ 0.9212
210 FHB 0.9210
211 IDM 0.9206
212 5HN 0.9205
213 DHR 0.9205
214 3QM 0.9203
215 0VT 0.9202
216 HDA 0.9202
217 FBB 0.9201
218 PYC 0.9199
219 SW7 0.9197
220 YRL 0.9195
221 MSR 0.9194
222 K2T 0.9194
223 PEL 0.9194
224 QUZ 0.9193
225 IHG 0.9192
226 4A3 0.9190
227 3OC 0.9189
228 AEF 0.9189
229 PKU 0.9188
230 KKN 0.9187
231 PCA 0.9186
232 3SL 0.9186
233 SYN 0.9184
234 XIY 0.9184
235 4ZA 0.9184
236 F05 0.9184
237 ABU 0.9183
238 DGN 0.9182
239 NYL 0.9182
240 KOJ 0.9182
241 UY7 0.9181
242 DEN 0.9181
243 PGA 0.9180
244 MYJ 0.9179
245 HYP 0.9178
246 ES2 0.9177
247 BZ3 0.9173
248 ET2 0.9173
249 NPY 0.9173
250 M3H 0.9172
251 CHB 0.9172
252 DGL 0.9171
253 IHB 0.9170
254 MLI 0.9170
255 5OB 0.9170
256 MR1 0.9170
257 8NY 0.9170
258 7WG 0.9170
259 1M2 0.9169
260 1P8 0.9169
261 RBL 0.9168
262 TEO 0.9168
263 3BZ 0.9165
264 IZC 0.9165
265 IND 0.9160
266 3PF 0.9159
267 LEA 0.9157
268 CLW 0.9157
269 PMB 0.9157
270 H8N 0.9156
271 HDH 0.9156
272 4JM 0.9156
273 QSB 0.9156
274 ES7 0.9155
275 9TW 0.9153
276 VGD 0.9153
277 MRZ 0.9153
278 1SA 0.9153
279 MNN 0.9150
280 BZI 0.9150
281 PG3 0.9149
282 FP1 0.9148
283 MLA 0.9146
284 LEU 0.9146
285 HSE 0.9145
286 1MR 0.9143
287 JAE 0.9143
288 3HM 0.9143
289 ES6 0.9140
290 36R 0.9139
291 ISN 0.9135
292 BSX 0.9135
293 40E 0.9133
294 XQ0 0.9133
295 1DJ 0.9131
296 5QY 0.9131
297 J9Q 0.9130
298 LZ1 0.9130
299 4JQ 0.9129
300 TZE 0.9128
301 PRA 0.9128
302 PBA 0.9128
303 DAS 0.9126
304 6M9 0.9126
305 MRY 0.9125
306 RNT 0.9124
307 9RW 0.9124
308 PEP 0.9123
309 M45 0.9120
310 PY7 0.9120
311 4JU 0.9120
312 ITN 0.9118
313 FCR 0.9117
314 GVG 0.9115
315 MXN 0.9112
316 6M4 0.9111
317 DMD 0.9110
318 282 0.9110
319 NXA 0.9110
320 2HO 0.9109
321 SMN 0.9108
322 3U4 0.9105
323 NBE 0.9101
324 TCA 0.9100
325 HMH 0.9100
326 X1S 0.9100
327 2MH 0.9100
328 FA0 0.9099
329 D48 0.9099
330 GZ3 0.9098
331 XLS 0.9096
332 PHE 0.9096
333 69O 0.9095
334 GGL 0.9093
335 13P 0.9091
336 DOB 0.9091
337 R2B 0.9090
338 TSU 0.9088
339 E5X 0.9086
340 5XC 0.9085
341 4SV 0.9085
342 FBA 0.9084
343 7WV 0.9083
344 271 0.9083
345 TLA 0.9082
346 5VM 0.9081
347 FBS 0.9080
348 7W4 0.9080
349 SNU 0.9079
350 SYC 0.9078
351 FW5 0.9077
352 SSN 0.9075
353 6TZ 0.9075
354 GOJ 0.9074
355 97T 0.9070
356 9X7 0.9069
357 IWT 0.9067
358 SPV 0.9066
359 MPI 0.9065
360 RMN 0.9064
361 52C 0.9063
362 45L 0.9063
363 OHG 0.9063
364 F4E 0.9061
365 HQJ 0.9061
366 SD4 0.9061
367 G3P 0.9060
368 G3H 0.9060
369 4XR 0.9060
370 3ID 0.9058
371 FBW 0.9056
372 JAB 0.9056
373 B85 0.9054
374 TFB 0.9053
375 PRS 0.9052
376 XUL 0.9051
377 MQN 0.9051
378 CPZ 0.9050
379 5CU 0.9050
380 0R1 0.9050
381 4JP 0.9048
382 1GP 0.9048
383 4J8 0.9048
384 1DW 0.9048
385 SAN 0.9047
386 1P3 0.9047
387 JZ9 0.9045
388 GRO 0.9043
389 1DQ 0.9043
390 BZF 0.9042
391 BML 0.9042
392 4BZ 0.9042
393 1DV 0.9041
394 0CT 0.9040
395 HCS 0.9038
396 PMF 0.9037
397 4M0 0.9037
398 9CL 0.9036
399 CEE 0.9036
400 6NT 0.9036
401 G3E 0.9034
402 B40 0.9033
403 TZF 0.9033
404 L5V 0.9032
405 PNZ 0.9032
406 2D0 0.9030
407 SME 0.9029
408 1P7 0.9023
409 F9Y 0.9022
410 MET 0.9022
411 NCT 0.9020
412 GAG 0.9019
413 2HQ 0.9019
414 URP 0.9018
415 BNF 0.9017
416 2PG 0.9017
417 9YL 0.9015
418 C2B 0.9015
419 BZ2 0.9014
420 6NA 0.9012
421 XX2 0.9011
422 GVH 0.9010
423 DBH 0.9007
424 3HA 0.9007
425 CRN 0.9004
426 IOM 0.9004
427 THR 0.9004
428 3SK 0.9003
429 J5I 0.9001
430 ANN 0.9001
431 261 0.9001
432 51F 0.9001
433 KMT 0.9000
434 Q88 0.8999
435 0TU 0.8997
436 K7M 0.8997
437 AHR 0.8997
438 ICF 0.8997
439 3M0 0.8996
440 JB5 0.8995
441 2CO 0.8994
442 R67 0.8993
443 PYJ 0.8993
444 8ZE 0.8993
445 AAS 0.8992
446 DTL 0.8990
447 FPY 0.8988
448 0HN 0.8987
449 4JL 0.8986
450 JBE 0.8986
451 ES0 0.8985
452 0BP 0.8984
453 0HO 0.8980
454 TH0 0.8980
455 J1Z 0.8977
456 HHI 0.8976
457 3F0 0.8974
458 TTL 0.8973
459 KUF 0.8972
460 TGX 0.8972
461 HE2 0.8971
462 BNL 0.8971
463 KJU 0.8971
464 CWM 0.8970
465 ESP 0.8969
466 CTL 0.8963
467 PO6 0.8960
468 SHO 0.8959
469 SE2 0.8959
470 OXQ 0.8958
471 8K2 0.8958
472 60P 0.8957
473 3PG 0.8954
474 8H8 0.8953
475 ICB 0.8952
476 PLQ 0.8950
477 LDU 0.8948
478 51R 0.8947
479 2LP 0.8947
480 5GU 0.8947
481 3NY 0.8946
482 9EW 0.8946
483 KTA 0.8946
484 4YO 0.8944
485 2HU 0.8944
486 PGH 0.8942
487 SVN 0.8941
488 0RW 0.8940
489 L99 0.8939
490 NVI 0.8939
491 PZM 0.8939
492 RHU 0.8936
493 KIV 0.8935
494 LT2 0.8935
495 MPV 0.8935
496 VNJ 0.8934
497 0R0 0.8933
498 GZL 0.8933
499 RM1 0.8933
500 GBD 0.8933
501 ONL 0.8932
502 AAE 0.8932
503 AMH 0.8930
504 BPN 0.8929
505 4CH 0.8929
506 MZW 0.8928
507 FYU 0.8927
508 ABI 0.8927
509 1WD 0.8926
510 5AC 0.8925
511 JA8 0.8925
512 PEQ 0.8924
513 HC4 0.8924
514 86J 0.8923
515 7VP 0.8923
516 HG3 0.8922
517 5RN 0.8922
518 R20 0.8921
519 BHA 0.8920
520 SJ5 0.8920
521 264 0.8920
522 N2I 0.8919
523 5NI 0.8918
524 6RQ 0.8916
525 1SH 0.8916
526 P2D 0.8915
527 ASC 0.8915
528 CSS 0.8915
529 5B1 0.8913
530 152 0.8912
531 HVQ 0.8911
532 G2H 0.8911
533 XCZ 0.8911
534 MCT 0.8910
535 6NI 0.8910
536 1MC 0.8910
537 PAH 0.8910
538 HX4 0.8909
539 LNR 0.8907
540 HX3 0.8907
541 2FT 0.8907
542 16D 0.8906
543 ODO 0.8905
544 SYV 0.8905
545 0V5 0.8904
546 36Y 0.8903
547 JBK 0.8903
548 2ZM 0.8901
549 JFJ 0.8900
550 FPN 0.8900
551 ALA ALA 0.8899
552 MEV 0.8895
553 2IT 0.8895
554 KMH 0.8895
555 ESX 0.8894
556 AMS 0.8894
557 SN4 0.8894
558 23W 0.8893
559 GTQ 0.8893
560 NK 0.8892
561 DIN 0.8892
562 LDP 0.8891
563 URF 0.8890
564 PCR 0.8890
565 HQE 0.8890
566 1F1 0.8889
567 BVG 0.8888
568 3PP 0.8888
569 5RG 0.8888
570 DHS 0.8887
571 APY 0.8884
572 6FZ 0.8882
573 N4B 0.8882
574 4LR 0.8881
575 PXY 0.8880
576 DA1 0.8880
577 CWS 0.8880
578 NF3 0.8877
579 5NU 0.8876
580 SKM 0.8875
581 4FH 0.8874
582 MED 0.8873
583 PPY 0.8873
584 DAL DAL 0.8872
585 67N 0.8870
586 MAK 0.8870
587 HH5 0.8868
588 2F6 0.8864
589 OHP 0.8863
590 5M0 0.8863
591 LG4 0.8862
592 ACA 0.8861
593 CCE 0.8861
594 0P6 0.8860
595 JAW 0.8860
596 3AL 0.8857
597 GPJ 0.8857
598 Q02 0.8855
599 FB1 0.8853
600 J6W 0.8852
601 BGC 0.8852
602 IF7 0.8850
603 JZ3 0.8850
604 HY3 0.8850
605 GPF 0.8850
606 92K 0.8849
607 M2K 0.8849
608 NSP 0.8847
609 1SP 0.8847
610 RIB 0.8847
611 N2Z 0.8847
612 FBV 0.8845
613 8WT 0.8842
614 4HO 0.8840
615 XIZ 0.8839
616 GP9 0.8839
617 2A9 0.8839
618 NDH 0.8837
619 DHK 0.8836
620 C5J 0.8836
621 NOJ 0.8836
622 SEP 0.8835
623 HMU 0.8834
624 2KT 0.8833
625 ACH 0.8833
626 IV2 0.8832
627 KDV 0.8831
628 GYE 0.8828
629 RAT 0.8828
630 FUD 0.8828
631 A7W 0.8827
632 24W 0.8827
633 AHB 0.8826
634 6GU 0.8826
635 MZ0 0.8826
636 5QX 0.8826
637 GLC 0.8826
638 X0V 0.8825
639 4LW 0.8824
640 HHA 0.8824
641 2AS 0.8823
642 I3A 0.8822
643 12Q 0.8822
644 LT1 0.8821
645 25R 0.8820
646 3HG 0.8818
647 4SX 0.8817
648 LYS 0.8817
649 MRW 0.8816
650 SGL 0.8814
651 A29 0.8812
652 GDE 0.8810
653 PYD 0.8810
654 TDR 0.8810
655 BUB 0.8810
656 XBZ 0.8810
657 M1A 0.8810
658 ICO 0.8809
659 9ON 0.8808
660 4NM 0.8807
661 SKA 0.8804
662 3A9 0.8803
663 APG 0.8802
664 DTU 0.8802
665 DGJ 0.8802
666 T2C 0.8801
667 8WO 0.8801
668 F31 0.8800
669 5MH 0.8800
670 GLL 0.8800
671 B24 0.8800
672 AC5 0.8800
673 IFP 0.8800
674 4HS 0.8799
675 5JC 0.8799
676 15E 0.8798
677 1SQ 0.8798
678 2AC 0.8798
679 ADE 0.8797
680 WBU 0.8797
681 OVM 0.8796
682 AG2 0.8796
683 XYD 0.8795
684 54G 0.8793
685 QWN 0.8792
686 8CM 0.8790
687 A09 0.8790
688 3PY 0.8790
689 MS9 0.8787
690 HPA 0.8785
691 4CL 0.8785
692 JZ2 0.8784
693 ORO 0.8783
694 0W8 0.8782
695 4AA 0.8782
696 OXC 0.8782
697 ZZT 0.8781
698 IPU 0.8780
699 1LQ 0.8780
700 4JJ 0.8780
701 0JD 0.8780
702 CCD 0.8779
703 23J 0.8779
704 OMD 0.8778
705 2MP 0.8777
706 XAN 0.8777
707 34A 0.8776
708 MWM 0.8776
709 DOR 0.8773
710 IP8 0.8772
711 EKZ 0.8772
712 VAL 0.8771
713 HLR 0.8771
714 4ZE 0.8770
715 KJH 0.8770
716 DMG 0.8769
717 HQT 0.8768
718 2CQ 0.8768
719 CH9 0.8767
720 SOR 0.8767
721 JF6 0.8765
722 3FH 0.8765
723 4SD 0.8764
724 HHH 0.8763
725 OPE 0.8762
726 4YS 0.8762
727 PSE 0.8762
728 10L 0.8762
729 23A 0.8760
730 7W1 0.8760
731 GAL 0.8756
732 RBJ 0.8755
733 QXW 0.8755
734 24B 0.8754
735 5IQ 0.8754
736 CCU 0.8752
737 RSF 0.8752
738 YH7 0.8751
739 GIF 0.8749
740 EOU 0.8748
741 9TZ 0.8748
742 ES1 0.8748
743 1NP 0.8746
744 9R5 0.8746
745 URC 0.8744
746 0OC 0.8744
747 9FL 0.8744
748 QSH 0.8743
749 4Z4 0.8743
750 2YU 0.8743
751 5Q0 0.8741
752 4JN 0.8740
753 A8C 0.8740
754 N5J 0.8738
755 GWM 0.8738
756 4HM 0.8737
757 PG0 0.8737
758 5SG 0.8737
759 ICP 0.8737
760 3S5 0.8736
761 3Z8 0.8736
762 NM2 0.8735
763 NM3 0.8735
764 6AP 0.8735
765 R1X 0.8734
766 EA1 0.8732
767 LLQ 0.8732
768 K5W 0.8731
769 94W 0.8731
770 PH3 0.8730
771 2FY 0.8730
772 AGK 0.8730
773 1LN 0.8729
774 G2F 0.8728
775 MWJ 0.8727
776 A5E 0.8727
777 FK8 0.8725
778 5UC 0.8725
779 4XH 0.8725
780 ASO 0.8723
781 XYP 0.8723
782 IOL 0.8723
783 OW4 0.8722
784 GRE 0.8721
785 DX4 0.8720
786 KT7 0.8718
787 JZ4 0.8718
788 I3E 0.8717
789 BVC 0.8716
790 OVP 0.8714
791 JPZ 0.8712
792 S0H 0.8712
793 KTJ 0.8712
794 259 0.8710
795 CWJ 0.8710
796 EUG 0.8708
797 R8A 0.8707
798 43M 0.8707
799 R2P 0.8707
800 6CS 0.8706
801 IMR 0.8706
802 5XB 0.8705
803 9CA 0.8704
804 TAG 0.8703
805 6M1 0.8702
806 150 0.8701
807 BR9 0.8697
808 HQY 0.8697
809 SC2 0.8696
810 3XX 0.8694
811 3MB 0.8693
812 4LV 0.8693
813 PRY 0.8691
814 HT4 0.8690
815 7HQ 0.8690
816 SYM 0.8689
817 MPD 0.8689
818 82I 0.8688
819 AJ2 0.8688
820 TM7 0.8687
821 HH8 0.8687
822 C2A 0.8685
823 275 0.8685
824 PRZ 0.8684
825 DHI 0.8684
826 HCI 0.8683
827 VNL 0.8683
828 6F0 0.8682
829 27Y 0.8682
830 TB6 0.8680
831 6MP 0.8680
832 RUY 0.8680
833 0CU 0.8680
834 BCP 0.8679
835 4V2 0.8676
836 R9S 0.8676
837 O72 0.8676
838 P3K 0.8676
839 R8V 0.8675
840 45C 0.8674
841 449 0.8671
842 IDH 0.8670
843 BEA 0.8669
844 JDN 0.8669
845 CFP 0.8669
846 M5K 0.8668
847 1WG 0.8668
848 7VD 0.8664
849 3DM 0.8664
850 JB8 0.8662
851 GLO 0.8662
852 MLM 0.8661
853 PC 0.8661
854 9DA 0.8659
855 DGY 0.8658
856 286 0.8658
857 JBH 0.8658
858 A1U 0.8654
859 1IT 0.8652
860 BTE 0.8651
861 ES4 0.8650
862 BP1 0.8648
863 3V4 0.8647
864 7WA 0.8646
865 MWP 0.8645
866 XAZ 0.8645
867 AZ8 0.8644
868 KYD 0.8642
869 7HP 0.8641
870 92P 0.8636
871 NK2 0.8635
872 HF2 0.8634
873 E7Z 0.8633
874 AT3 0.8631
875 IQ0 0.8630
876 PM6 0.8630
877 SOE 0.8630
878 KVP 0.8628
879 463 0.8627
880 AW5 0.8626
881 DBX 0.8625
882 0TR 0.8623
883 75K 0.8622
884 CP 0.8622
885 M1Q 0.8621
886 SER 0.8620
887 IUR 0.8620
888 5MK 0.8620
889 290 0.8620
890 CIZ 0.8620
891 9HX 0.8619
892 1A7 0.8618
893 E7S 0.8617
894 AOT 0.8616
895 BDP 0.8613
896 1DH 0.8613
897 DHY 0.8613
898 141 0.8612
899 CXP 0.8612
900 SWA 0.8610
901 GUN 0.8610
902 AZA 0.8610
903 N8Y 0.8609
904 1XM 0.8609
905 0F9 0.8607
906 4VY 0.8606
907 FA1 0.8601
908 280 0.8599
909 IPB 0.8595
910 4HC 0.8592
911 4JO 0.8591
912 1WC 0.8590
913 5JQ 0.8590
914 A2F 0.8589
915 ECE 0.8586
916 FCA 0.8585
917 25T 0.8584
918 TC7 0.8584
919 AQO 0.8583
920 DFB 0.8583
921 PAE 0.8582
922 ADZ 0.8580
923 TLD 0.8580
924 AZG 0.8579
925 FGZ 0.8574
926 4HP 0.8574
927 BTY 0.8574
928 1LM 0.8573
929 PBE 0.8572
930 2ZV 0.8570
931 SVD 0.8567
932 B55 0.8565
933 PUT 0.8564
934 CTS 0.8562
935 MEW 0.8561
936 FLA 0.8561
937 IGA 0.8560
938 FUL 0.8558
939 F0J 0.8558
940 Y8I 0.8553
941 8TX 0.8549
942 V55 0.8549
943 ONR 0.8547
944 B62 0.8546
945 1Z6 0.8544
946 149 0.8536
947 GXY 0.8525
Ligand no: 2; Ligand: COA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6V90; Ligand: QSD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6v90.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback