Receptor
PDB id Resolution Class Description Source Keywords
2X0V 1.8 Å NON-ENZYME: BINDING STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4- (TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE HOMO SAPIENS CELL CYCLE HOST-VIRUS INTERACTION TRANSCRIPTION REGULATIONTRANSCRIPTION FACTOR LI-FRAUMENI DRUG DISCOVERY SURFACE CTUMOR SUPPRESSOR PROTEIN STABILIZATION TRANSCRIPTION METBINDING CANCER APOPTOSIS
Ref.: TOWARD THE RATIONAL DESIGN OF P53-STABILIZING DRUGS THE SURFACE OF THE ONCOGENIC Y220C MUTANT. CHEM.BIOL. V. 17 46 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X0V B:1290;
B:1291;
Valid;
Valid;
none;
none;
submit data
176.139 C7 H7 F3 N2 c1cc(...
ZN A:1300;
B:1300;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SI3 1.4 Å NON-ENZYME: BINDING P53 CANCER MUTANT Y220S IN COMPLEX WITH SMALL-MOLECULE STABI PK9301 HOMO SAPIENS P53 TRANSCRIPTION FACTOR TUMOR SUPPRESSOR CANCER THERAPYONCOGENIC MUTANT PROTEIN MISFOLDING DNA-BINDING DOMAIN DSURFACE CREVICE SMALL-MOLECULE STABILIZER MUTANT P53 RESCBINDING PROTEIN
Ref.: TARGETING CAVITY-CREATING P53 CANCER MUTATIONS WITH SMALL-MOLECULE STABILIZERS: THE Y220X PARADIGM. ACS CHEM.BIOL. V. 15 657 2020
Members (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: X0V; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 X0V 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: X0V; Similar ligands found: 1259
No: Ligand Similarity coefficient
1 4FH 1.0000
2 EKZ 0.9961
3 IFP 0.9959
4 4SX 0.9932
5 DHB 0.9772
6 4NC 0.9741
7 FCR 0.9730
8 TSU 0.9713
9 FBW 0.9708
10 SAN 0.9703
11 INO 0.9696
12 51R 0.9694
13 UFV 0.9691
14 MYJ 0.9677
15 93K 0.9677
16 FBS 0.9669
17 SVD 0.9668
18 NNO 0.9659
19 FHB 0.9656
20 P9P 0.9655
21 CHB 0.9653
22 XCZ 0.9646
23 4A3 0.9641
24 2HO 0.9633
25 LNR 0.9629
26 3HM 0.9626
27 AMS 0.9617
28 AAS 0.9617
29 XXG 0.9614
30 4J8 0.9605
31 QSB 0.9602
32 XX2 0.9597
33 IHB 0.9595
34 9TW 0.9578
35 8WO 0.9558
36 L99 0.9530
37 JLZ 0.9530
38 DHK 0.9526
39 2O6 0.9484
40 FB2 0.9484
41 F31 0.9483
42 EDR 0.9475
43 4XV 0.9470
44 VNL 0.9469
45 PHB 0.9467
46 A13 0.9464
47 EXD 0.9463
48 E7Z 0.9460
49 SKM 0.9457
50 PMB 0.9456
51 GDE 0.9455
52 DBX 0.9454
53 EYK 0.9452
54 OSE 0.9445
55 FA1 0.9445
56 HPS 0.9442
57 3OC 0.9438
58 36E 0.9432
59 4CS 0.9432
60 M4S 0.9428
61 MAJ 0.9423
62 3FH 0.9421
63 4XS 0.9419
64 3AB 0.9414
65 FBV 0.9406
66 NPO 0.9404
67 PAB 0.9404
68 RHU 0.9403
69 GAB 0.9403
70 4AA 0.9401
71 HBD 0.9397
72 DHS 0.9394
73 LT2 0.9394
74 3PF 0.9394
75 0HO 0.9392
76 ASO 0.9385
77 1F1 0.9383
78 KOJ 0.9382
79 3HB 0.9381
80 4Z4 0.9381
81 BDP 0.9379
82 HDH 0.9378
83 5NI 0.9377
84 1Y6 0.9377
85 6NT 0.9374
86 WCE 0.9369
87 1SA 0.9364
88 0HN 0.9364
89 3NY 0.9361
90 P72 0.9357
91 ASC 0.9350
92 AC6 0.9350
93 2ZM 0.9350
94 OVV 0.9350
95 ZXD 0.9344
96 QSH 0.9343
97 3SL 0.9343
98 PEP 0.9341
99 CN0 0.9339
100 5HN 0.9338
101 53C 0.9338
102 MJ2 0.9337
103 KTA 0.9335
104 PBZ 0.9331
105 HQJ 0.9331
106 TWO 0.9323
107 3NT 0.9320
108 OTR 0.9319
109 8GC 0.9317
110 KBZ 0.9316
111 FB1 0.9312
112 QMP 0.9310
113 4P5 0.9310
114 1DV 0.9306
115 FA3 0.9302
116 4MA 0.9301
117 PIM 0.9301
118 GCU 0.9301
119 826 0.9296
120 FGZ 0.9296
121 3A9 0.9294
122 FBU 0.9292
123 LDP 0.9290
124 6OT 0.9288
125 6NI 0.9285
126 3ID 0.9279
127 069 0.9279
128 DHY 0.9278
129 SAF 0.9278
130 G3E 0.9278
131 5QY 0.9278
132 RSO 0.9278
133 HIS 0.9277
134 6TZ 0.9277
135 RAT 0.9272
136 D48 0.9272
137 Z82 0.9269
138 ABI 0.9266
139 KJH 0.9264
140 J9Q 0.9264
141 DMD 0.9263
142 4XR 0.9263
143 4ZA 0.9261
144 173 0.9260
145 HA5 0.9258
146 5WV 0.9257
147 6FZ 0.9257
148 52C 0.9257
149 VXX 0.9257
150 2HU 0.9254
151 BRT 0.9254
152 3BZ 0.9253
153 0JD 0.9252
154 KBB 0.9250
155 QY9 0.9248
156 4JC 0.9247
157 4WL 0.9247
158 6M4 0.9243
159 KKN 0.9241
160 174 0.9241
161 HX3 0.9235
162 L5V 0.9235
163 PO6 0.9233
164 5CU 0.9232
165 B85 0.9232
166 H42 0.9231
167 ES7 0.9231
168 152 0.9231
169 NMJ 0.9231
170 86J 0.9230
171 9FE 0.9230
172 15N 0.9230
173 XM0 0.9230
174 5NU 0.9229
175 7W1 0.9229
176 IAC 0.9229
177 SPV 0.9228
178 GTR 0.9228
179 A09 0.9227
180 V55 0.9224
181 N3W 0.9224
182 12Q 0.9222
183 3HA 0.9222
184 J9T 0.9221
185 TPA 0.9220
186 GWM 0.9219
187 ADA 0.9219
188 J5I 0.9219
189 PNZ 0.9217
190 ISN 0.9216
191 SE2 0.9216
192 HQT 0.9213
193 PZI 0.9213
194 5QX 0.9212
195 MWP 0.9212
196 GYE 0.9212
197 ICO 0.9211
198 2A9 0.9210
199 PIY 0.9210
200 HQD 0.9208
201 DA4 0.9207
202 ANN 0.9207
203 MSR 0.9206
204 BZ2 0.9202
205 23J 0.9200
206 PAC 0.9197
207 R8V 0.9196
208 S7J 0.9195
209 DQA 0.9194
210 GZ3 0.9194
211 0F9 0.9193
212 2AL 0.9193
213 2FY 0.9192
214 ONR 0.9192
215 GTQ 0.9190
216 AMH 0.9190
217 QIC 0.9189
218 3C4 0.9189
219 TZF 0.9189
220 GZL 0.9189
221 DOB 0.9188
222 5XC 0.9188
223 SHA 0.9187
224 E5X 0.9184
225 42J 0.9183
226 5RO 0.9183
227 FA0 0.9183
228 97T 0.9183
229 7W4 0.9181
230 EUG 0.9181
231 4M4 0.9181
232 BEZ 0.9180
233 CTS 0.9179
234 TIU 0.9179
235 BHA 0.9176
236 EA1 0.9175
237 1P3 0.9175
238 CFI 0.9175
239 0W8 0.9175
240 DNF 0.9174
241 9FL 0.9173
242 2PG 0.9173
243 DBH 0.9172
244 AZ9 0.9171
245 TTL 0.9170
246 13P 0.9169
247 DIN 0.9168
248 HHI 0.9168
249 6RQ 0.9167
250 1X4 0.9167
251 GJZ 0.9166
252 JTH 0.9165
253 Q02 0.9165
254 EVA 0.9165
255 PHU 0.9164
256 H4E 0.9164
257 15L 0.9162
258 M1A 0.9159
259 RMN 0.9159
260 92K 0.9158
261 BGC 0.9157
262 FEH 0.9156
263 SYV 0.9155
264 5RN 0.9155
265 R20 0.9155
266 BPN 0.9155
267 R67 0.9154
268 4M0 0.9154
269 9ZE 0.9154
270 E4P 0.9154
271 D1X 0.9154
272 CXP 0.9153
273 67N 0.9152
274 H7Y 0.9151
275 ORO 0.9148
276 SNU 0.9148
277 5OB 0.9147
278 ICB 0.9147
279 2HQ 0.9146
280 XX3 0.9145
281 7N0 0.9144
282 DGJ 0.9143
283 PEQ 0.9143
284 0V5 0.9143
285 8OZ 0.9142
286 ODO 0.9138
287 FE DB1 0.9137
288 SEP 0.9136
289 IF7 0.9136
290 G4D 0.9136
291 KUF 0.9135
292 LMR 0.9134
293 EVF 0.9133
294 A29 0.9133
295 M4T 0.9133
296 5RG 0.9133
297 4JQ 0.9133
298 6PC 0.9133
299 ISZ 0.9131
300 ET2 0.9129
301 5MK 0.9128
302 GVG 0.9128
303 A7W 0.9127
304 7MU 0.9127
305 3AE 0.9126
306 BEA 0.9126
307 DHI 0.9124
308 BEN 0.9123
309 MLT 0.9123
310 54G 0.9122
311 Q88 0.9122
312 OCH 0.9121
313 NCA 0.9120
314 PHE 0.9119
315 3F0 0.9119
316 MR1 0.9119
317 AL0 0.9119
318 FK8 0.9119
319 TGX 0.9119
320 SJ5 0.9119
321 EGR 0.9118
322 COU 0.9118
323 XSP 0.9118
324 4HM 0.9116
325 R2P 0.9116
326 K7M 0.9115
327 9TZ 0.9115
328 12T 0.9115
329 8ZE 0.9114
330 03V 0.9113
331 S2G 0.9113
332 CWS 0.9112
333 HIO 0.9111
334 2AQ 0.9111
335 4FS 0.9110
336 4NG 0.9110
337 NIZ 0.9110
338 JB5 0.9109
339 HHA 0.9109
340 TYL 0.9108
341 DOR 0.9107
342 MS9 0.9106
343 XIY 0.9105
344 P7Y 0.9105
345 0N7 0.9104
346 9CA 0.9104
347 5M0 0.9104
348 NOY 0.9104
349 HFA 0.9103
350 BZ3 0.9103
351 DX3 0.9102
352 GCB 0.9101
353 CPZ 0.9100
354 3M0 0.9098
355 DYT 0.9098
356 OAA 0.9098
357 JBK 0.9097
358 34D 0.9097
359 SOE 0.9097
360 BCU 0.9096
361 SKA 0.9095
362 NTN 0.9095
363 BAM 0.9092
364 GLU 0.9092
365 PBC 0.9092
366 8CM 0.9090
367 SMN 0.9088
368 PZA 0.9087
369 3PG 0.9085
370 HG3 0.9085
371 X05 0.9085
372 HHH 0.9084
373 92P 0.9082
374 ES5 0.9082
375 3MB 0.9081
376 NIO 0.9081
377 CLW 0.9080
378 LR5 0.9080
379 2C2 0.9078
380 1IT 0.9078
381 S2P 0.9077
382 MQN 0.9077
383 0P6 0.9074
384 ALE 0.9074
385 XDE 0.9074
386 VOH 0.9074
387 7WR 0.9074
388 4YO 0.9074
389 ES2 0.9073
390 F0J 0.9073
391 JB8 0.9073
392 7ME 0.9073
393 CWM 0.9072
394 OVM 0.9071
395 WOT 0.9070
396 ESI 0.9070
397 FBF 0.9069
398 AEF 0.9069
399 717 0.9068
400 ROI 0.9068
401 BHO 0.9067
402 8U3 0.9067
403 15E 0.9067
404 4NM 0.9066
405 F4E 0.9066
406 1LQ 0.9065
407 MRW 0.9065
408 CXF 0.9065
409 3DO 0.9064
410 1SQ 0.9062
411 ES0 0.9062
412 JDN 0.9062
413 SAL 0.9062
414 3HP 0.9061
415 C1M 0.9061
416 6CS 0.9061
417 LCN 0.9060
418 SX1 0.9060
419 OMD 0.9060
420 HQ9 0.9060
421 IPB 0.9060
422 VGL 0.9059
423 4HP 0.9058
424 OXC 0.9058
425 R9S 0.9058
426 S0E 0.9057
427 HBA 0.9057
428 NOJ 0.9056
429 GAL 0.9056
430 BNS 0.9054
431 EOL 0.9054
432 IOS 0.9054
433 4BZ 0.9053
434 ESX 0.9053
435 HCI 0.9052
436 C2Y 0.9051
437 2LY 0.9050
438 5XB 0.9050
439 0FK 0.9050
440 6ME 0.9048
441 SN4 0.9048
442 Z5P 0.9045
443 2EC 0.9044
444 FBB 0.9044
445 N5J 0.9043
446 OW4 0.9043
447 JBH 0.9042
448 5SG 0.9042
449 IFL 0.9042
450 36R 0.9041
451 SKF 0.9041
452 NVU 0.9041
453 GLC 0.9041
454 HC4 0.9041
455 JAW 0.9040
456 QUS 0.9039
457 1NP 0.9039
458 PBA 0.9039
459 2K4 0.9038
460 BE2 0.9038
461 AEH 0.9037
462 TLA 0.9037
463 AKG 0.9035
464 FBT 0.9034
465 4LR 0.9034
466 IV2 0.9033
467 5IQ 0.9032
468 DGN 0.9032
469 4VY 0.9032
470 F60 0.9031
471 6M9 0.9031
472 AHR 0.9031
473 24W 0.9030
474 I1E 0.9028
475 DYA 0.9028
476 3YP 0.9028
477 K2T 0.9027
478 LYL 0.9027
479 ABV 0.9026
480 ASN 0.9025
481 8WT 0.9025
482 HNK 0.9024
483 NCT 0.9023
484 3AL 0.9022
485 259 0.9022
486 9RW 0.9022
487 AW5 0.9021
488 E1T 0.9021
489 OGA 0.9020
490 SS2 0.9019
491 40E 0.9018
492 JND 0.9018
493 0TU 0.9018
494 G2F 0.9017
495 SS1 0.9016
496 1P8 0.9014
497 IJZ 0.9014
498 AX7 0.9014
499 F9P 0.9013
500 AC0 0.9012
501 6AI 0.9012
502 NDH 0.9012
503 7HQ 0.9012
504 4YS 0.9011
505 Q6T 0.9010
506 ASP 0.9010
507 3U4 0.9010
508 2HC 0.9009
509 SRT 0.9009
510 TOF 0.9008
511 LGC 0.9008
512 TAG 0.9007
513 4VP 0.9006
514 2BG 0.9005
515 XQ0 0.9004
516 O72 0.9004
517 BZX 0.9003
518 GXY 0.9003
519 36Y 0.9003
520 GLN 0.9002
521 HF2 0.9002
522 5H1 0.9002
523 FYU 0.9002
524 OHP 0.9002
525 HL5 0.9002
526 1LM 0.9001
527 N2I 0.9001
528 14O 0.9001
529 VNJ 0.9001
530 MTL 0.9001
531 GUA 0.9001
532 9RH 0.9000
533 82I 0.8999
534 COI 0.8999
535 UNC 0.8999
536 0FN 0.8998
537 9R5 0.8998
538 3IT 0.8998
539 QSC 0.8996
540 0W1 0.8996
541 JPZ 0.8995
542 FBM 0.8995
543 GRO 0.8993
544 ES1 0.8993
545 258 0.8992
546 SYM 0.8992
547 270 0.8991
548 5NS 0.8991
549 FAN 0.8990
550 5Q0 0.8990
551 CTL 0.8990
552 I3A 0.8990
553 8XL 0.8988
554 3Z8 0.8988
555 GF4 0.8987
556 9PY 0.8987
557 DE5 0.8986
558 8S0 0.8986
559 428 0.8986
560 YCP 0.8986
561 TSS 0.8985
562 SWA 0.8985
563 AX3 0.8985
564 R1P 0.8984
565 4JT 0.8984
566 AFR 0.8983
567 2FQ 0.8982
568 NBZ 0.8981
569 J9N 0.8981
570 TH7 0.8980
571 5MI 0.8979
572 FOT 0.8979
573 2HG 0.8978
574 JAE 0.8978
575 URC 0.8978
576 4SV 0.8978
577 S24 0.8977
578 39O 0.8975
579 ES6 0.8974
580 44V 0.8974
581 1P7 0.8973
582 2F6 0.8972
583 2IT 0.8972
584 DGL 0.8972
585 YTX 0.8971
586 UNU 0.8970
587 PXL 0.8969
588 NPY 0.8969
589 SOR 0.8969
590 HQY 0.8968
591 G3F 0.8968
592 OVP 0.8967
593 7WG 0.8967
594 X6X 0.8967
595 1M2 0.8966
596 2MI 0.8966
597 GP9 0.8966
598 I3E 0.8965
599 7NI 0.8965
600 PEZ 0.8965
601 4ME 0.8962
602 AY4 0.8962
603 JFJ 0.8961
604 P9E 0.8961
605 4NZ 0.8961
606 2CK 0.8960
607 8K2 0.8960
608 KGK 0.8960
609 FP1 0.8959
610 IP0 0.8959
611 DPN 0.8958
612 2D0 0.8957
613 GCS 0.8956
614 K34 0.8953
615 LZ2 0.8953
616 VGD 0.8953
617 QUZ 0.8952
618 3BU 0.8952
619 CH9 0.8952
620 LAO 0.8952
621 TEO 0.8951
622 M0W 0.8951
623 2FG 0.8951
624 APG 0.8951
625 WOO 0.8951
626 4FA 0.8951
627 HLZ 0.8948
628 Z13 0.8948
629 263 0.8948
630 G5V 0.8947
631 KVP 0.8947
632 7VS 0.8946
633 DAS 0.8946
634 8NX 0.8946
635 ZYR 0.8946
636 ALL 0.8946
637 3SK 0.8946
638 BE7 0.8944
639 PJW 0.8943
640 M6N 0.8942
641 5GU 0.8942
642 AEG 0.8942
643 SYA 0.8942
644 KJU 0.8941
645 KBG 0.8940
646 AOS 0.8940
647 5LA 0.8940
648 CXH 0.8939
649 TSR 0.8939
650 B62 0.8938
651 RNT 0.8938
652 149 0.8937
653 FBA 0.8937
654 5NE 0.8937
655 7WV 0.8936
656 SG2 0.8935
657 M0Q 0.8935
658 YRL 0.8934
659 PRZ 0.8934
660 TTY 0.8934
661 F05 0.8933
662 42C 0.8933
663 HSO 0.8933
664 5VM 0.8932
665 5MB 0.8928
666 3QM 0.8928
667 AJV 0.8927
668 RM1 0.8927
669 JKE 0.8926
670 T9G 0.8926
671 BNT 0.8925
672 IWT 0.8925
673 AJY 0.8924
674 PD2 0.8924
675 BSX 0.8924
676 M2K 0.8923
677 2H5 0.8922
678 SRO 0.8921
679 1HN 0.8921
680 449 0.8921
681 G3P 0.8919
682 PGH 0.8919
683 G3H 0.8919
684 GIV 0.8919
685 DHR 0.8917
686 11S 0.8916
687 0LH 0.8916
688 4XH 0.8915
689 GGL 0.8915
690 GLA 0.8912
691 M1Q 0.8912
692 8HC 0.8911
693 H8N 0.8911
694 M58 0.8911
695 HH8 0.8910
696 KT7 0.8910
697 9EW 0.8909
698 HY1 0.8909
699 APS 0.8909
700 QBK 0.8909
701 JRB 0.8908
702 F9Y 0.8908
703 PDC 0.8908
704 FDR 0.8907
705 MPV 0.8907
706 5B1 0.8906
707 3HG 0.8906
708 MUA 0.8905
709 1FD 0.8905
710 S7A 0.8905
711 ALA ALA 0.8904
712 0BP 0.8904
713 7MX 0.8902
714 GXL 0.8901
715 HLR 0.8901
716 M45 0.8901
717 AZ8 0.8901
718 4AV 0.8901
719 TAR 0.8900
720 DEE 0.8899
721 0OC 0.8899
722 UAN 0.8899
723 Q24 0.8898
724 RNS 0.8898
725 RUY 0.8898
726 N8Y 0.8897
727 SD4 0.8897
728 L14 0.8896
729 4V2 0.8896
730 1XA 0.8896
731 NAG 0.8896
732 1WC 0.8896
733 2FT 0.8895
734 A5E 0.8894
735 M1H 0.8894
736 E7S 0.8894
737 QPR 0.8893
738 UNJ 0.8891
739 GAF 0.8890
740 091 0.8889
741 7VP 0.8889
742 4NB 0.8888
743 GLF 0.8888
744 ARP 0.8887
745 SOL 0.8887
746 0RW 0.8886
747 J9W 0.8884
748 1A7 0.8884
749 BNF 0.8884
750 ICF 0.8884
751 HDL 0.8883
752 AKH 0.8883
753 FQI 0.8882
754 JG8 0.8881
755 2LP 0.8880
756 AHN 0.8880
757 YOF 0.8877
758 HMH 0.8877
759 PE0 0.8876
760 1GN 0.8876
761 4RU 0.8875
762 LTL 0.8875
763 FK1 0.8874
764 ZZZ 0.8874
765 HJP 0.8874
766 3ZB 0.8874
767 APZ 0.8873
768 H62 0.8873
769 ES9 0.8871
770 1GP 0.8870
771 NID 0.8870
772 MNN 0.8868
773 H4N 0.8867
774 6R8 0.8867
775 6DP 0.8867
776 MXN 0.8865
777 463 0.8865
778 C2B 0.8865
779 AJ2 0.8864
780 OTW 0.8864
781 RJY 0.8862
782 M5K 0.8862
783 94W 0.8862
784 4HC 0.8862
785 PC 0.8861
786 GUN 0.8861
787 75K 0.8861
788 SVN 0.8859
789 HXX 0.8859
790 9KH 0.8859
791 M1Z 0.8858
792 AQO 0.8857
793 HMU 0.8857
794 KJY 0.8857
795 DNC 0.8857
796 PA1 0.8856
797 PEY 0.8854
798 3W8 0.8853
799 MEW 0.8853
800 C2U 0.8852
801 INE 0.8852
802 HPA 0.8851
803 1KP 0.8851
804 FH2 0.8851
805 ADZ 0.8850
806 XHP 0.8850
807 HKD 0.8850
808 4MU 0.8850
809 4BY 0.8850
810 XAZ 0.8849
811 DQU 0.8849
812 NHG 0.8849
813 8W9 0.8848
814 7B4 0.8846
815 5JQ 0.8844
816 DAL DAL 0.8844
817 MBG 0.8843
818 B57 0.8842
819 TZM 0.8842
820 1DJ 0.8841
821 LEU 0.8841
822 505 0.8841
823 BNL 0.8841
824 QX4 0.8839
825 RBJ 0.8838
826 44W 0.8836
827 23A 0.8836
828 ADE 0.8835
829 DBJ 0.8835
830 27B 0.8835
831 M1E 0.8834
832 CWJ 0.8834
833 YPN 0.8833
834 EUE 0.8833
835 MPK 0.8833
836 1BN 0.8833
837 F4K 0.8832
838 FDK 0.8830
839 61M 0.8830
840 NF3 0.8829
841 O2A 0.8828
842 4JL 0.8828
843 5GT 0.8828
844 4CM 0.8827
845 GJP 0.8826
846 GZQ 0.8826
847 9MG 0.8825
848 BTY 0.8825
849 XAN 0.8825
850 OK7 0.8825
851 NGO 0.8825
852 YIO 0.8823
853 F69 0.8823
854 3XX 0.8822
855 X09 0.8820
856 9DG 0.8820
857 AES 0.8820
858 264 0.8820
859 FHC 0.8820
860 J6W 0.8819
861 8NB 0.8819
862 OA3 0.8819
863 RXA 0.8818
864 B40 0.8817
865 KMH 0.8817
866 SYG 0.8816
867 EN1 0.8816
868 PGA 0.8816
869 5WY 0.8815
870 4PN 0.8815
871 8NY 0.8814
872 8TX 0.8814
873 SHG 0.8814
874 M3H 0.8814
875 6KT 0.8814
876 PEA 0.8814
877 1DQ 0.8814
878 XDK 0.8812
879 BPY 0.8812
880 SNO 0.8811
881 FDB 0.8810
882 JF6 0.8810
883 PMF 0.8810
884 MO8 0.8810
885 TYE 0.8810
886 NQ 0.8808
887 P92 0.8807
888 NYL 0.8807
889 EMZ 0.8807
890 XQI 0.8806
891 57O 0.8806
892 SDD 0.8804
893 VK3 0.8802
894 PZM 0.8802
895 UEG 0.8801
896 2BX 0.8801
897 LQ2 0.8801
898 MCT 0.8800
899 2AK 0.8800
900 TZE 0.8799
901 4JM 0.8799
902 HNL 0.8799
903 R8S 0.8799
904 KTJ 0.8799
905 JBE 0.8798
906 TEP 0.8797
907 NSP 0.8797
908 6VD 0.8797
909 2CZ 0.8795
910 DRL 0.8794
911 0FO 0.8792
912 RB5 0.8791
913 GCO 0.8791
914 10L 0.8790
915 46P 0.8790
916 AM4 0.8789
917 HX4 0.8789
918 AZG 0.8788
919 8G0 0.8788
920 8H8 0.8788
921 QBM 0.8787
922 344 0.8787
923 PCA 0.8785
924 FUD 0.8785
925 SWD 0.8783
926 6XI 0.8783
927 G2H 0.8783
928 TT4 0.8783
929 1AL 0.8781
930 9UL 0.8781
931 4JE 0.8780
932 535 0.8780
933 4TU 0.8779
934 AN3 0.8779
935 CFA 0.8779
936 CRN 0.8778
937 IOM 0.8778
938 24B 0.8778
939 1DW 0.8778
940 PH2 0.8778
941 F12 0.8777
942 261 0.8776
943 JA8 0.8775
944 IFM 0.8775
945 1WD 0.8774
946 3R6 0.8774
947 DIU 0.8773
948 MAN 0.8773
949 E35 0.8772
950 9KT 0.8772
951 LI6 0.8772
952 ZZT 0.8770
953 E0O 0.8770
954 4P0 0.8769
955 TH0 0.8769
956 R9Y 0.8769
957 GV9 0.8767
958 RIB 0.8766
959 30G 0.8766
960 C2A 0.8765
961 DDU 0.8765
962 LZM 0.8765
963 A9P 0.8764
964 BDF 0.8763
965 AVI 0.8763
966 948 0.8762
967 MWM 0.8761
968 7MK 0.8761
969 GZ2 0.8761
970 1LN 0.8761
971 EV0 0.8760
972 KYA 0.8760
973 42A 0.8759
974 32X 0.8758
975 FA6 0.8757
976 P3K 0.8756
977 4ZE 0.8755
978 TDR 0.8755
979 BMA 0.8755
980 NCD 0.8755
981 ZB1 0.8754
982 IYR 0.8754
983 ZYX 0.8754
984 3DM 0.8754
985 XBZ 0.8753
986 WBU 0.8753
987 RNO 0.8753
988 KJM 0.8753
989 6M1 0.8753
990 IGA 0.8752
991 UA5 0.8752
992 KDV 0.8752
993 XXP 0.8751
994 CFF 0.8751
995 XYP 0.8750
996 34A 0.8748
997 DHQ 0.8747
998 MQB 0.8746
999 6AP 0.8746
1000 MT0 0.8746
1001 A2F 0.8746
1002 PYQ 0.8746
1003 2AC 0.8745
1004 MZG 0.8745
1005 4CL 0.8743
1006 CCE 0.8743
1007 A7N 0.8742
1008 ESP 0.8742
1009 2MP 0.8741
1010 MVN 0.8741
1011 PPY 0.8740
1012 SLS 0.8740
1013 BZJ 0.8740
1014 HZQ 0.8739
1015 SME 0.8739
1016 2CL 0.8739
1017 I4B 0.8738
1018 AZA 0.8738
1019 HA7 0.8738
1020 GPF 0.8737
1021 7HP 0.8736
1022 14J 0.8736
1023 SIF 0.8735
1024 1Z6 0.8735
1025 141 0.8734
1026 JKZ 0.8733
1027 4A5 0.8733
1028 1L5 0.8733
1029 B55 0.8732
1030 3QV 0.8732
1031 URF 0.8731
1032 4BL 0.8730
1033 ZEC 0.8728
1034 N1E 0.8727
1035 6MP 0.8726
1036 7ZE 0.8725
1037 IPD 0.8725
1038 BP1 0.8724
1039 A1U 0.8723
1040 OXZ 0.8723
1041 MB1 0.8722
1042 GPJ 0.8722
1043 XYD 0.8720
1044 9DA 0.8720
1045 495 0.8720
1046 NPA 0.8720
1047 4JJ 0.8719
1048 QMR 0.8719
1049 4HO 0.8718
1050 6GU 0.8718
1051 2KA 0.8717
1052 MNM 0.8716
1053 IT2 0.8716
1054 HHR 0.8715
1055 S76 0.8714
1056 MZB 0.8714
1057 SW7 0.8712
1058 7CT 0.8712
1059 PEL 0.8711
1060 290 0.8710
1061 PRA 0.8710
1062 K97 0.8709
1063 5JC 0.8708
1064 BHQ 0.8705
1065 6F0 0.8704
1066 H33 0.8704
1067 BZE 0.8704
1068 2K8 0.8703
1069 9HX 0.8702
1070 6QF 0.8702
1071 37T 0.8702
1072 1XM 0.8701
1073 PH3 0.8701
1074 8GK 0.8700
1075 QOS 0.8699
1076 2GS 0.8699
1077 1PT 0.8699
1078 AS3 0.8698
1079 JZ2 0.8698
1080 MWJ 0.8696
1081 GRE 0.8695
1082 LZ1 0.8695
1083 GO2 0.8695
1084 DX4 0.8694
1085 SXS 0.8694
1086 271 0.8694
1087 B09 0.8694
1088 2ZQ 0.8693
1089 L22 0.8692
1090 PSE 0.8691
1091 DIE 0.8691
1092 209 0.8691
1093 HNH 0.8690
1094 STT 0.8690
1095 7WA 0.8689
1096 X0U 0.8689
1097 XQK 0.8689
1098 1MC 0.8687
1099 AZF 0.8686
1100 JZ4 0.8685
1101 QWN 0.8684
1102 4ZC 0.8684
1103 3MG 0.8684
1104 AMC 0.8683
1105 DEN 0.8682
1106 KFH 0.8680
1107 KJ5 0.8680
1108 54Z 0.8679
1109 1XN 0.8678
1110 43M 0.8677
1111 GIF 0.8677
1112 ORN 0.8677
1113 ICP 0.8676
1114 PYD 0.8676
1115 CFP 0.8676
1116 PXM 0.8676
1117 IND 0.8675
1118 DFB 0.8674
1119 5JL 0.8673
1120 2A7 0.8672
1121 YH7 0.8671
1122 AH8 0.8671
1123 XRG 0.8671
1124 4LW 0.8671
1125 CLZ 0.8669
1126 NLA 0.8669
1127 1U6 0.8669
1128 GHM 0.8668
1129 0R1 0.8667
1130 ES4 0.8666
1131 KDF 0.8665
1132 LSA 0.8665
1133 CIT 0.8663
1134 4KL 0.8663
1135 PFB 0.8662
1136 LLQ 0.8660
1137 1X7 0.8659
1138 5UC 0.8659
1139 9BF 0.8659
1140 PKU 0.8659
1141 2YU 0.8658
1142 IDM 0.8657
1143 PRF 0.8657
1144 2AS 0.8657
1145 2ZV 0.8656
1146 JXN 0.8655
1147 TM7 0.8655
1148 PM6 0.8653
1149 MPI 0.8652
1150 AA 0.8650
1151 2QC 0.8650
1152 86L 0.8649
1153 28N 0.8648
1154 JF1 0.8648
1155 DC5 0.8647
1156 AGK 0.8646
1157 AZM 0.8645
1158 HT4 0.8644
1159 XQG 0.8644
1160 PFL 0.8644
1161 5VL 0.8644
1162 BR9 0.8640
1163 PQK 0.8640
1164 JXZ 0.8638
1165 HH5 0.8636
1166 FRU 0.8636
1167 XBT 0.8636
1168 KYN 0.8634
1169 BZF 0.8633
1170 QXW 0.8633
1171 2D3 0.8633
1172 5MH 0.8632
1173 ABN 0.8632
1174 JZ5 0.8631
1175 3WA 0.8630
1176 IPZ 0.8630
1177 NDG 0.8630
1178 X1S 0.8630
1179 PHH 0.8628
1180 HHS 0.8628
1181 AOT 0.8628
1182 B60 0.8625
1183 8XQ 0.8625
1184 LRH 0.8624
1185 L13 0.8622
1186 GVH 0.8621
1187 TLD 0.8616
1188 SLC 0.8615
1189 ZBT 0.8615
1190 MAQ 0.8614
1191 2CQ 0.8614
1192 GDL 0.8614
1193 F81 0.8612
1194 X48 0.8612
1195 BTE 0.8611
1196 B53 0.8611
1197 BZI 0.8611
1198 JF2 0.8611
1199 AT3 0.8611
1200 BOA 0.8609
1201 OKG 0.8609
1202 HBX 0.8609
1203 SC2 0.8608
1204 PPT 0.8608
1205 PRO 0.8607
1206 8IG 0.8606
1207 IDH 0.8606
1208 SQ7 0.8605
1209 DHC 0.8604
1210 HNQ 0.8601
1211 ANC 0.8601
1212 XIZ 0.8601
1213 GBD 0.8600
1214 N7I 0.8600
1215 PYF 0.8598
1216 7A2 0.8597
1217 1VK 0.8594
1218 K17 0.8594
1219 0R0 0.8592
1220 49O 0.8589
1221 I6G 0.8586
1222 P84 0.8586
1223 27Y 0.8585
1224 7D2 0.8584
1225 GAG 0.8583
1226 PQ0 0.8582
1227 GCV 0.8581
1228 RIP 0.8581
1229 OXQ 0.8581
1230 Y4L 0.8580
1231 NBG 0.8574
1232 G12 0.8573
1233 ANF 0.8573
1234 A9O 0.8572
1235 JZ3 0.8567
1236 95Z 0.8565
1237 IUR 0.8564
1238 TBS 0.8562
1239 ZZ3 0.8559
1240 G1P 0.8559
1241 QMS 0.8557
1242 F2W 0.8557
1243 FUL 0.8555
1244 FPY 0.8553
1245 T6C 0.8553
1246 LKA 0.8553
1247 3Z7 0.8553
1248 60P 0.8550
1249 BP7 0.8546
1250 5AC 0.8545
1251 ST3 0.8543
1252 0XT 0.8536
1253 BPU 0.8530
1254 BBK 0.8529
1255 GOJ 0.8528
1256 THA 0.8522
1257 0CU 0.8521
1258 IZC 0.8520
1259 K32 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SI3; Ligand: LEB; 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: 6si3.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SI3; Ligand: LEB; 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: 6si3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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