Receptor
PDB id Resolution Class Description Source Keywords
6U67 1.84 Å NON-ENZYME: OTHER MCL-1 BOUND TO COMPOUND 24 HOMO SAPIENS ANTI-APOPTOTIC INHIBITOR PROTEIN BINDING APOPTOSIS-INHIBICOMPLEX
Ref.: DISCOVERY AND CHARACTERIZATION OF 2,5-SUBSTITUTED B ACID DUAL INHIBITORS OF THE ANTI-APOPTOTIC MCL-1 AN PROTEINS. J.MED.CHEM. V. 63 2489 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
Q01 B:403;
B:402;
A:403;
A:402;
A:401;
B:401;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.244;
Atoms found LESS than expected: % Diff = 0.634;
Atoms found LESS than expected: % Diff = 0.537;
Atoms found LESS than expected: % Diff = 0.659;
none;
none;
 Ki = 0.95 uM
596.761 C30 H36 N4 O5 S2 CC(C)...
BNL B:404;
A:404;
 Valid;
Valid;
 none;
none;
 submit data
154.208 C12 H10 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6OQB 1.6 Å NON-ENZYME: OTHER CO-CRYSTAL STRUCTURE OF MCL1 WITH INHIBITOR 10 HOMO SAPIENS INHIBITOR APOPTOSIS PROTEIN-PROTEIN INTERACTION APOPTOSISINHIBITOR COMPLEX
Ref.: AMG 176, A SELECTIVE MCL1 INHIBITOR, IS EFFECTIVE I HEMATOLOGIC CANCER MODELS ALONE AND IN COMBINATION ESTABLISHED THERAPIES. CANCER DISCOV V. 8 1582 2018
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6UDI ic50 = 0.3 nM Q4S C36 H47 Cl N4 O7 S CN1CC/C=C/....
2 6OQB Ki = 0.00004 uM N0J C32 H39 Cl N2 O5 S CC[C@@H]1C....
3 6QZ5 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
4 6QYP - JL5 C29 H31 Cl N4 O4 S CCc1c(c2c(....
5 6O6F ic50 = 0.04 uM LOD C23 H24 Cl N O3 c1cc2c(cc1....
6 6QZ6 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
7 6UDX ic50 = 10 nM Q57 C25 H28 Cl N O4 c1cc2c(cc1....
8 5IF4 Ki < 1 nM 6AK C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
9 6U65 Ki = 0.77 uM Q0A C26 H28 F N3 O4 S2 c1ccc(cc1)....
10 6O6G ic50 = 0.3 uM LOJ C21 H21 Cl2 N O3 c1cc2c(cc1....
11 6B4U Ki = 21 nM CN7 C35 H36 N2 O4 Cc1ccccc1c....
12 4WMR - 865 C37 H36 N6 O4 Cc1ccnc(c1....
13 6OQD Ki = 0.00014 uM N0M C31 H39 Cl N2 O5 S C[C@@H]1CC....
14 6UDT ic50 = 0.6 nM Q4V C33 H39 Cl N2 O6 CN1CC/C=C/....
15 6UD2 ic50 = 0.3 nM Q4D C40 H52 Cl F2 N5 O7 S CN1CC/C=C/....
16 4OQ6 ic50 = 3.3 uM 2UV C16 H16 O3 CCCc1ccc(c....
17 6NE5 Ki = 0.058 nM KJP C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
18 6UDY ic50 = 27 nM Q54 C24 H26 Cl N O3 c1cc2c(cc1....
19 3WIY ic50 = 0.61 uM LC6 C47 H46 N6 O8 S2 Cc1cc(ccc1....
20 5VKC - 9EA C46 H46 N6 O5 Cc1c(c(nn1....
21 6QZ8 - JL8 C24 H21 Cl N2 O4 S CCc1c(c2c(....
22 6P3P ic50 = 0.145 uM NQJ C23 H20 Cl F3 N2 O5 S2 Cc1cc(sc1S....
23 6U67 Ki = 0.95 uM Q01 C30 H36 N4 O5 S2 CC(C)(C)c1....
24 5FC4 Ki = 231 nM 5WL C23 H21 Cl N2 O4 S CS(=O)(=O)....
25 6QFQ - J3E C27 H25 N3 O3 Cc1c(c(n[n....
26 6OQC Ki = 0.00005 uM N0S C31 H37 Cl N2 O5 S C[C@@H]1CC....
27 6YBG Ki = 13 nM OJT C36 H36 Cl2 N4 O5 S Cc1c(ccc(c....
28 6OQN ic50 = 0.01 uM N0P C26 H31 Cl N2 O5 S c1cc2c3cc1....
29 6FS1 Kd = 0.098 uM E4Q C34 H35 N5 O3 S Cc1cc(nn1C....
30 3WIX ic50 = 0.54 uM LC3 C28 H22 N2 O5 c1ccc2c(c1....
31 6B4L Ki = 0.34 uM CJY C22 H19 N O3 c1ccc2c(c1....
32 4HW3 Ki = 0.32 uM 19G C20 H19 Cl O3 S Cc1cc(cc(c....
33 5KU9 ic50 = 1.49 uM 6XJ C33 H36 Br Cl2 N5 O4 CNC(=O)C[C....
34 4ZBI Ki = 0.31 uM 4M6 C25 H23 N O3 c1ccc2c(c1....
35 6UDU ic50 = 1.7 nM Q4Y C30 H35 Cl N2 O5 CN1C/C=C/C....
36 6UDV Ki = 0.051 nM Q51 C32 H39 Cl N2 O5 S C[C@H]1C/C....
37 6QZB - JLK C24 H23 N3 O2 S CCc1c(c2c(....
38 4ZBF Ki = 0.074 uM 4M7 C25 H23 N O4 S c1ccc2c(c1....
70% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6UDI ic50 = 0.3 nM Q4S C36 H47 Cl N4 O7 S CN1CC/C=C/....
2 6OQB Ki = 0.00004 uM N0J C32 H39 Cl N2 O5 S CC[C@@H]1C....
3 6QZ5 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
4 6QYP - JL5 C29 H31 Cl N4 O4 S CCc1c(c2c(....
5 6O6F ic50 = 0.04 uM LOD C23 H24 Cl N O3 c1cc2c(cc1....
6 6QZ6 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
7 6UDX ic50 = 10 nM Q57 C25 H28 Cl N O4 c1cc2c(cc1....
8 5IF4 Ki < 1 nM 6AK C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
9 6U65 Ki = 0.77 uM Q0A C26 H28 F N3 O4 S2 c1ccc(cc1)....
10 6O6G ic50 = 0.3 uM LOJ C21 H21 Cl2 N O3 c1cc2c(cc1....
11 6B4U Ki = 21 nM CN7 C35 H36 N2 O4 Cc1ccccc1c....
12 4WMR - 865 C37 H36 N6 O4 Cc1ccnc(c1....
13 6OQD Ki = 0.00014 uM N0M C31 H39 Cl N2 O5 S C[C@@H]1CC....
14 6UDT ic50 = 0.6 nM Q4V C33 H39 Cl N2 O6 CN1CC/C=C/....
15 6UD2 ic50 = 0.3 nM Q4D C40 H52 Cl F2 N5 O7 S CN1CC/C=C/....
16 4OQ6 ic50 = 3.3 uM 2UV C16 H16 O3 CCCc1ccc(c....
17 6NE5 Ki = 0.058 nM KJP C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
18 6UDY ic50 = 27 nM Q54 C24 H26 Cl N O3 c1cc2c(cc1....
19 3WIY ic50 = 0.61 uM LC6 C47 H46 N6 O8 S2 Cc1cc(ccc1....
20 5VKC - 9EA C46 H46 N6 O5 Cc1c(c(nn1....
21 6QZ8 - JL8 C24 H21 Cl N2 O4 S CCc1c(c2c(....
22 6P3P ic50 = 0.145 uM NQJ C23 H20 Cl F3 N2 O5 S2 Cc1cc(sc1S....
23 6U67 Ki = 0.95 uM Q01 C30 H36 N4 O5 S2 CC(C)(C)c1....
24 5FC4 Ki = 231 nM 5WL C23 H21 Cl N2 O4 S CS(=O)(=O)....
25 6QFQ - J3E C27 H25 N3 O3 Cc1c(c(n[n....
26 6OQC Ki = 0.00005 uM N0S C31 H37 Cl N2 O5 S C[C@@H]1CC....
27 6YBG Ki = 13 nM OJT C36 H36 Cl2 N4 O5 S Cc1c(ccc(c....
28 6OQN ic50 = 0.01 uM N0P C26 H31 Cl N2 O5 S c1cc2c3cc1....
29 6FS1 Kd = 0.098 uM E4Q C34 H35 N5 O3 S Cc1cc(nn1C....
30 3WIX ic50 = 0.54 uM LC3 C28 H22 N2 O5 c1ccc2c(c1....
31 6B4L Ki = 0.34 uM CJY C22 H19 N O3 c1ccc2c(c1....
32 4HW3 Ki = 0.32 uM 19G C20 H19 Cl O3 S Cc1cc(cc(c....
33 5KU9 ic50 = 1.49 uM 6XJ C33 H36 Br Cl2 N5 O4 CNC(=O)C[C....
34 4ZBI Ki = 0.31 uM 4M6 C25 H23 N O3 c1ccc2c(c1....
35 6UDU ic50 = 1.7 nM Q4Y C30 H35 Cl N2 O5 CN1C/C=C/C....
36 6UDV Ki = 0.051 nM Q51 C32 H39 Cl N2 O5 S C[C@H]1C/C....
37 6QZB - JLK C24 H23 N3 O2 S CCc1c(c2c(....
38 4ZBF Ki = 0.074 uM 4M7 C25 H23 N O4 S c1ccc2c(c1....
50% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6UDI ic50 = 0.3 nM Q4S C36 H47 Cl N4 O7 S CN1CC/C=C/....
2 6OQB Ki = 0.00004 uM N0J C32 H39 Cl N2 O5 S CC[C@@H]1C....
3 6QZ5 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
4 6QYP - JL5 C29 H31 Cl N4 O4 S CCc1c(c2c(....
5 6O6F ic50 = 0.04 uM LOD C23 H24 Cl N O3 c1cc2c(cc1....
6 6QZ6 - JLE C25 H22 N4 O2 S CCc1c(c2c(....
7 6UDX ic50 = 10 nM Q57 C25 H28 Cl N O4 c1cc2c(cc1....
8 5IF4 Ki < 1 nM 6AK C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
9 6U65 Ki = 0.77 uM Q0A C26 H28 F N3 O4 S2 c1ccc(cc1)....
10 6O6G ic50 = 0.3 uM LOJ C21 H21 Cl2 N O3 c1cc2c(cc1....
11 6B4U Ki = 21 nM CN7 C35 H36 N2 O4 Cc1ccccc1c....
12 4WMR - 865 C37 H36 N6 O4 Cc1ccnc(c1....
13 6OQD Ki = 0.00014 uM N0M C31 H39 Cl N2 O5 S C[C@@H]1CC....
14 6UDT ic50 = 0.6 nM Q4V C33 H39 Cl N2 O6 CN1CC/C=C/....
15 6UD2 ic50 = 0.3 nM Q4D C40 H52 Cl F2 N5 O7 S CN1CC/C=C/....
16 4OQ6 ic50 = 3.3 uM 2UV C16 H16 O3 CCCc1ccc(c....
17 6NE5 Ki = 0.058 nM KJP C39 H39 Cl2 N5 O4 Cc1cc(cc(c....
18 6UDY ic50 = 27 nM Q54 C24 H26 Cl N O3 c1cc2c(cc1....
19 3WIY ic50 = 0.61 uM LC6 C47 H46 N6 O8 S2 Cc1cc(ccc1....
20 5VKC - 9EA C46 H46 N6 O5 Cc1c(c(nn1....
21 6QZ8 - JL8 C24 H21 Cl N2 O4 S CCc1c(c2c(....
22 6P3P ic50 = 0.145 uM NQJ C23 H20 Cl F3 N2 O5 S2 Cc1cc(sc1S....
23 6U67 Ki = 0.95 uM Q01 C30 H36 N4 O5 S2 CC(C)(C)c1....
24 5FC4 Ki = 231 nM 5WL C23 H21 Cl N2 O4 S CS(=O)(=O)....
25 6QFQ - J3E C27 H25 N3 O3 Cc1c(c(n[n....
26 6OQC Ki = 0.00005 uM N0S C31 H37 Cl N2 O5 S C[C@@H]1CC....
27 6YBG Ki = 13 nM OJT C36 H36 Cl2 N4 O5 S Cc1c(ccc(c....
28 6OQN ic50 = 0.01 uM N0P C26 H31 Cl N2 O5 S c1cc2c3cc1....
29 6FS1 Kd = 0.098 uM E4Q C34 H35 N5 O3 S Cc1cc(nn1C....
30 3WIX ic50 = 0.54 uM LC3 C28 H22 N2 O5 c1ccc2c(c1....
31 6B4L Ki = 0.34 uM CJY C22 H19 N O3 c1ccc2c(c1....
32 4HW3 Ki = 0.32 uM 19G C20 H19 Cl O3 S Cc1cc(cc(c....
33 5KU9 ic50 = 1.49 uM 6XJ C33 H36 Br Cl2 N5 O4 CNC(=O)C[C....
34 4ZBI Ki = 0.31 uM 4M6 C25 H23 N O3 c1ccc2c(c1....
35 6UDU ic50 = 1.7 nM Q4Y C30 H35 Cl N2 O5 CN1C/C=C/C....
36 6UDV Ki = 0.051 nM Q51 C32 H39 Cl N2 O5 S C[C@H]1C/C....
37 6QZB - JLK C24 H23 N3 O2 S CCc1c(c2c(....
38 4ZBF Ki = 0.074 uM 4M7 C25 H23 N O4 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Q01; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 Q01 1 1
2 Q0A 0.464912 0.841463
Ligand no: 2; Ligand: BNL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BNL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: Q01; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: BNL; Similar ligands found: 970
No: Ligand Similarity coefficient
1 4PN 1.0000
2 GLU 1.0000
3 0BP 0.9960
4 XDK 0.9941
5 M3H 0.9920
6 NCT 0.9892
7 JF6 0.9833
8 GVG 0.9824
9 PIM 0.9812
10 M45 0.9810
11 HX4 0.9807
12 CH9 0.9806
13 M6H 0.9797
14 RUY 0.9796
15 JRB 0.9795
16 PPY 0.9783
17 PIY 0.9780
18 PJW 0.9780
19 7VP 0.9777
20 IWT 0.9776
21 HNH 0.9769
22 6TZ 0.9757
23 4LW 0.9754
24 SNU 0.9748
25 MSR 0.9742
26 J9N 0.9740
27 KTJ 0.9736
28 PHE 0.9724
29 AOT 0.9718
30 1Z6 0.9716
31 A5E 0.9715
32 HFA 0.9708
33 1A7 0.9694
34 HQJ 0.9691
35 97T 0.9688
36 4LV 0.9675
37 SHI 0.9662
38 CPZ 0.9653
39 J9Q 0.9644
40 9CA 0.9639
41 TZF 0.9632
42 9FL 0.9628
43 173 0.9623
44 1IT 0.9623
45 PO6 0.9622
46 36Y 0.9616
47 ESP 0.9615
48 X48 0.9610
49 AN3 0.9606
50 R20 0.9606
51 MPV 0.9605
52 S2P 0.9598
53 HNK 0.9597
54 BPY 0.9594
55 GVY 0.9591
56 DPN 0.9588
57 NFA 0.9586
58 C1M 0.9584
59 TT4 0.9582
60 SV4 0.9578
61 N2Z 0.9578
62 HF2 0.9576
63 TIH 0.9575
64 YZM 0.9572
65 L22 0.9571
66 50C 0.9564
67 BZ2 0.9558
68 L13 0.9555
69 52C 0.9543
70 ESX 0.9540
71 BP7 0.9539
72 HNL 0.9538
73 CK2 0.9537
74 R2P 0.9531
75 L5V 0.9531
76 BZE 0.9521
77 A29 0.9515
78 ICB 0.9514
79 92G 0.9512
80 K34 0.9511
81 1WC 0.9507
82 HIS 0.9505
83 A9P 0.9498
84 HHH 0.9498
85 HHI 0.9498
86 1XA 0.9494
87 HIC 0.9492
88 KDG 0.9490
89 XIZ 0.9484
90 5VL 0.9469
91 RA7 0.9464
92 HCI 0.9464
93 F4E 0.9463
94 6FZ 0.9458
95 D3G 0.9457
96 BP3 0.9455
97 DC5 0.9452
98 SQ4 0.9448
99 4WL 0.9447
100 HL4 0.9433
101 4ZA 0.9428
102 X11 0.9423
103 DHI 0.9419
104 TYR 0.9418
105 LFC 0.9414
106 M3E 0.9409
107 EN1 0.9409
108 CK1 0.9407
109 FZM 0.9405
110 SMN 0.9403
111 B40 0.9403
112 TCA 0.9403
113 PHI 0.9402
114 JG8 0.9402
115 SQ7 0.9399
116 4V2 0.9397
117 1L5 0.9393
118 61M 0.9387
119 LVD 0.9385
120 4P5 0.9385
121 E3X 0.9384
122 PFF 0.9382
123 DTY 0.9382
124 9RW 0.9380
125 0NX 0.9377
126 M1Z 0.9375
127 D48 0.9373
128 DE5 0.9372
129 X0U 0.9372
130 4HB 0.9370
131 3PF 0.9369
132 4BF 0.9367
133 795 0.9367
134 MPK 0.9366
135 RAT 0.9364
136 CXP 0.9360
137 TYL 0.9359
138 ENO 0.9359
139 HJH 0.9353
140 FK8 0.9353
141 0HN 0.9351
142 GZ2 0.9349
143 PH3 0.9349
144 3A9 0.9348
145 FHC 0.9347
146 N3W 0.9346
147 8OZ 0.9344
148 5QY 0.9344
149 JAW 0.9343
150 3NY 0.9341
151 BZJ 0.9338
152 EQW 0.9333
153 CS2 0.9331
154 G3E 0.9330
155 15N 0.9329
156 M5E 0.9328
157 2ZM 0.9327
158 36E 0.9326
159 2F6 0.9323
160 3YP 0.9323
161 PCS 0.9321
162 SE2 0.9318
163 2HU 0.9312
164 J5I 0.9312
165 C53 0.9311
166 1F1 0.9311
167 1VK 0.9310
168 6NT 0.9308
169 GO2 0.9307
170 0HO 0.9306
171 6QF 0.9305
172 ZYR 0.9305
173 6NI 0.9305
174 56D 0.9302
175 LJ3 0.9302
176 BHO 0.9301
177 HXY 0.9300
178 E1T 0.9300
179 S2G 0.9299
180 5NI 0.9297
181 FBM 0.9295
182 URO 0.9293
183 SYM 0.9293
184 PAC 0.9291
185 ISZ 0.9290
186 92K 0.9289
187 HDH 0.9288
188 1BN 0.9287
189 ANC 0.9287
190 9ON 0.9286
191 4NB 0.9285
192 GJZ 0.9283
193 2HC 0.9283
194 0JD 0.9281
195 L14 0.9280
196 LQ2 0.9280
197 23J 0.9277
198 CFI 0.9273
199 J9T 0.9272
200 F4K 0.9271
201 I1E 0.9270
202 LNR 0.9269
203 SLS 0.9268
204 F9P 0.9267
205 TYC 0.9266
206 AKG 0.9265
207 C82 0.9265
208 9ZE 0.9263
209 MXD 0.9259
210 ONR 0.9257
211 ESI 0.9257
212 6FB 0.9255
213 K7M 0.9255
214 L99 0.9252
215 ABI 0.9252
216 PHU 0.9252
217 TMG 0.9251
218 TZM 0.9250
219 F69 0.9250
220 3ZB 0.9248
221 M4T 0.9247
222 XCG 0.9246
223 QUS 0.9244
224 ALE 0.9239
225 3VW 0.9233
226 JDN 0.9232
227 KYN 0.9232
228 JAH 0.9232
229 5LA 0.9231
230 MTL 0.9230
231 FEH 0.9230
232 SAF 0.9229
233 TYE 0.9228
234 4BY 0.9227
235 T2D 0.9226
236 4JQ 0.9225
237 OOG 0.9223
238 GGL 0.9223
239 2IT 0.9223
240 JB8 0.9223
241 GLN 0.9222
242 BQ2 0.9222
243 AHN 0.9220
244 268 0.9217
245 KTW 0.9214
246 URS 0.9212
247 OGA 0.9212
248 4BL 0.9210
249 2QC 0.9207
250 MQN 0.9205
251 P7Y 0.9202
252 0F9 0.9200
253 SWX 0.9199
254 UNJ 0.9199
255 4XF 0.9198
256 RMN 0.9197
257 1HN 0.9194
258 PBN 0.9192
259 94W 0.9188
260 0A9 0.9184
261 2HG 0.9184
262 P81 0.9184
263 NIZ 0.9180
264 AEG 0.9179
265 49O 0.9178
266 492 0.9177
267 80G 0.9177
268 8ZE 0.9175
269 15E 0.9174
270 GRO 0.9173
271 JZA 0.9171
272 GJP 0.9170
273 6RQ 0.9169
274 6HO 0.9168
275 GT4 0.9168
276 428 0.9167
277 K80 0.9167
278 PEY 0.9166
279 FUD 0.9165
280 EVF 0.9164
281 3QM 0.9160
282 4RU 0.9160
283 AY4 0.9159
284 N9J 0.9158
285 QY9 0.9158
286 OTR 0.9157
287 8XL 0.9151
288 J6W 0.9151
289 M5H 0.9151
290 2BX 0.9150
291 XIY 0.9150
292 363 0.9149
293 DAL DAL 0.9149
294 6KT 0.9145
295 3R4 0.9144
296 FMQ 0.9144
297 30G 0.9141
298 FTV 0.9139
299 CLU 0.9138
300 FBB 0.9137
301 2BG 0.9134
302 3QO 0.9133
303 H4E 0.9133
304 258 0.9133
305 46P 0.9129
306 0TU 0.9128
307 PNZ 0.9127
308 GOJ 0.9124
309 CWJ 0.9124
310 C0H 0.9122
311 1M2 0.9119
312 KW8 0.9119
313 BZ3 0.9119
314 B2Y 0.9117
315 N2I 0.9116
316 AA 0.9112
317 TGX 0.9112
318 AMQ 0.9111
319 069 0.9110
320 7MU 0.9108
321 HA5 0.9108
322 HC4 0.9108
323 HPS 0.9105
324 12T 0.9104
325 EYV 0.9103
326 ANN 0.9103
327 N1E 0.9101
328 7OD 0.9101
329 K2T 0.9100
330 7Q1 0.9098
331 6J9 0.9098
332 5WZ 0.9098
333 DAH 0.9097
334 HL5 0.9095
335 IYR 0.9094
336 4HP 0.9094
337 4YO 0.9093
338 DIR 0.9091
339 Q04 0.9090
340 9UL 0.9087
341 ANF 0.9087
342 A9O 0.9086
343 E5X 0.9085
344 S7A 0.9084
345 ERZ 0.9083
346 EOU 0.9083
347 CXH 0.9082
348 W29 0.9081
349 QMP 0.9081
350 7QS 0.9077
351 BNF 0.9076
352 344 0.9076
353 P80 0.9076
354 S8V 0.9074
355 F16 0.9073
356 BP6 0.9073
357 5OB 0.9073
358 R9J 0.9073
359 BEA 0.9072
360 GF4 0.9069
361 7R4 0.9068
362 PBA 0.9066
363 BRH 0.9064
364 4BZ 0.9061
365 Z5P 0.9059
366 E35 0.9058
367 PRA 0.9058
368 03V 0.9057
369 A5H 0.9056
370 INO 0.9055
371 GNW 0.9054
372 UN1 0.9054
373 6SD 0.9053
374 B4O 0.9051
375 LL1 0.9050
376 LT2 0.9050
377 ET2 0.9049
378 0W1 0.9048
379 27B 0.9044
380 COU 0.9044
381 I4B 0.9044
382 SOJ 0.9043
383 CFA 0.9042
384 2B4 0.9042
385 45L 0.9041
386 152 0.9040
387 JB5 0.9040
388 OCH 0.9039
389 2JM 0.9038
390 L03 0.9038
391 Q03 0.9036
392 Q02 0.9035
393 DZA 0.9035
394 8WO 0.9035
395 DI6 0.9034
396 DHB 0.9032
397 7O4 0.9030
398 EXD 0.9030
399 39O 0.9027
400 SYV 0.9026
401 3HG 0.9025
402 MMS 0.9025
403 O45 0.9024
404 GWM 0.9023
405 DGN 0.9023
406 B85 0.9021
407 DHY 0.9021
408 LSQ 0.9020
409 2AQ 0.9020
410 ODO 0.9019
411 HSO 0.9019
412 B1J 0.9018
413 6ZX 0.9017
414 FDR 0.9017
415 FQX 0.9016
416 TTL 0.9016
417 THA 0.9015
418 E7S 0.9014
419 9FH 0.9013
420 PHB 0.9011
421 5XC 0.9011
422 FA1 0.9011
423 BCK 0.9010
424 E0O 0.9010
425 KTA 0.9010
426 ES5 0.9009
427 NYL 0.9009
428 KJU 0.9007
429 4FP 0.9005
430 7UZ 0.9005
431 2UB 0.9003
432 AJV 0.9002
433 3C4 0.9000
434 PBZ 0.9000
435 DGL 0.8999
436 BIK 0.8999
437 9RH 0.8999
438 ODK 0.8998
439 93K 0.8998
440 NDH 0.8998
441 TOH 0.8997
442 OKG 0.8995
443 Z70 0.8995
444 CLW 0.8994
445 WOE 0.8994
446 H42 0.8994
447 4FS 0.8994
448 3ID 0.8993
449 3VQ 0.8992
450 7ZL 0.8991
451 NPO 0.8990
452 ES2 0.8988
453 9FE 0.8986
454 0FK 0.8986
455 6J5 0.8985
456 HBD 0.8984
457 8D6 0.8984
458 G14 0.8984
459 AMH 0.8984
460 1Y6 0.8983
461 BVA 0.8980
462 PAB 0.8979
463 DRG 0.8977
464 AJY 0.8977
465 2HO 0.8977
466 8HC 0.8976
467 TB8 0.8975
468 GZQ 0.8975
469 N8Z 0.8975
470 ALA ALA 0.8974
471 RNO 0.8973
472 2FY 0.8973
473 1X4 0.8973
474 VXX 0.8973
475 TPA 0.8973
476 DHC 0.8973
477 DMD 0.8972
478 8U3 0.8972
479 R9S 0.8972
480 OK7 0.8971
481 SOR 0.8971
482 S7J 0.8970
483 3QV 0.8970
484 68A 0.8970
485 XDE 0.8969
486 ZZA 0.8968
487 D2G 0.8967
488 AL0 0.8967
489 5TY 0.8966
490 P9P 0.8966
491 MAH 0.8964
492 Q06 0.8964
493 MAJ 0.8963
494 977 0.8962
495 3AE 0.8962
496 AX7 0.8961
497 6HX 0.8961
498 54E 0.8960
499 GNM 0.8960
500 2FX 0.8960
501 GCO 0.8958
502 LR5 0.8957
503 FBF 0.8955
504 7N0 0.8952
505 FF2 0.8952
506 4MA 0.8951
507 4FA 0.8950
508 MUK 0.8950
509 GZL 0.8950
510 FHB 0.8950
511 KF5 0.8950
512 4JT 0.8949
513 5GU 0.8948
514 PMF 0.8947
515 N8Y 0.8945
516 4A3 0.8944
517 92P 0.8944
518 FBJ 0.8942
519 NNO 0.8942
520 36R 0.8941
521 2O6 0.8941
522 7BC 0.8940
523 4I8 0.8940
524 B2T 0.8939
525 28A 0.8939
526 4ZD 0.8938
527 VGD 0.8938
528 4NC 0.8937
529 791 0.8933
530 SNO 0.8930
531 AC6 0.8930
532 826 0.8929
533 PUE 0.8929
534 P72 0.8928
535 A3M 0.8927
536 9R5 0.8927
537 ASC 0.8926
538 DPT 0.8926
539 IAC 0.8926
540 CCU 0.8925
541 QIV 0.8925
542 0N7 0.8925
543 1P8 0.8925
544 SOV 0.8923
545 EYJ 0.8923
546 C2Y 0.8921
547 717 0.8920
548 9TW 0.8919
549 8NX 0.8919
550 S0E 0.8919
551 7MX 0.8919
552 ABV 0.8918
553 2HQ 0.8917
554 3PG 0.8915
555 HG3 0.8915
556 PKU 0.8915
557 2PV 0.8914
558 54F 0.8914
559 SHA 0.8913
560 OQC 0.8912
561 XX2 0.8912
562 1KP 0.8912
563 DDU 0.8911
564 SLY 0.8911
565 MS9 0.8911
566 SYC 0.8911
567 KDV 0.8910
568 PZI 0.8909
569 QBS 0.8909
570 HQD 0.8906
571 MYJ 0.8905
572 JLZ 0.8905
573 3Y7 0.8905
574 EGR 0.8904
575 3VX 0.8904
576 KMY 0.8902
577 KJH 0.8902
578 0QW 0.8900
579 CHB 0.8899
580 TAG 0.8899
581 GUA 0.8899
582 IOS 0.8899
583 AX3 0.8898
584 SKF 0.8896
585 IHB 0.8895
586 YPN 0.8893
587 Y3L 0.8892
588 4FF 0.8892
589 GLO 0.8891
590 86J 0.8891
591 ZEC 0.8890
592 JCZ 0.8889
593 3HM 0.8889
594 JA8 0.8887
595 SW7 0.8887
596 THU 0.8886
597 A9K 0.8886
598 BZQ 0.8886
599 2AL 0.8884
600 36M 0.8883
601 2LY 0.8883
602 2FQ 0.8882
603 9YT 0.8882
604 ZME 0.8881
605 49F 0.8881
606 F2W 0.8881
607 SD4 0.8880
608 QSB 0.8879
609 78Y 0.8879
610 12Q 0.8878
611 EA1 0.8878
612 GBN 0.8876
613 F31 0.8876
614 SEP 0.8875
615 RKV 0.8875
616 N91 0.8874
617 YTX 0.8873
618 APG 0.8872
619 LZ5 0.8871
620 BSA 0.8871
621 7W1 0.8870
622 3J8 0.8870
623 2FT 0.8866
624 0OL 0.8865
625 HBO 0.8865
626 5VM 0.8865
627 I3E 0.8864
628 5OO 0.8864
629 505 0.8863
630 3VS 0.8863
631 M4E 0.8862
632 2PK 0.8862
633 1PS 0.8860
634 JGB 0.8860
635 2D2 0.8858
636 BTM 0.8858
637 PRL 0.8857
638 8NB 0.8856
639 SN4 0.8855
640 FCD 0.8855
641 HRM 0.8854
642 2MI 0.8852
643 LDP 0.8851
644 SQV 0.8851
645 SME 0.8850
646 A7H 0.8850
647 F06 0.8850
648 5QX 0.8848
649 ABF 0.8844
650 259 0.8843
651 HX8 0.8842
652 MOK 0.8842
653 DIN 0.8842
654 4NM 0.8842
655 NF3 0.8841
656 X0V 0.8841
657 9BF 0.8839
658 4SX 0.8839
659 XRS 0.8838
660 N0Z 0.8838
661 HPP 0.8838
662 RQD 0.8836
663 XRG 0.8836
664 4NZ 0.8834
665 KKN 0.8834
666 BPN 0.8834
667 8WT 0.8834
668 N2Y 0.8834
669 5WV 0.8833
670 KLE 0.8832
671 174 0.8831
672 PEA 0.8830
673 YIE 0.8829
674 S0G 0.8829
675 0VT 0.8827
676 6ME 0.8825
677 DHK 0.8825
678 RP3 0.8824
679 5GT 0.8824
680 AWE 0.8822
681 BGU 0.8821
682 LYS 0.8821
683 S0D 0.8821
684 TSU 0.8820
685 AMS 0.8820
686 ES7 0.8819
687 V1T 0.8817
688 S0W 0.8816
689 1A5 0.8815
690 S60 0.8815
691 DHS 0.8815
692 PD2 0.8813
693 ICO 0.8813
694 CTL 0.8813
695 AAN 0.8813
696 QIC 0.8813
697 OEG 0.8813
698 ISN 0.8813
699 FCR 0.8812
700 X6W 0.8812
701 JND 0.8810
702 HQT 0.8809
703 FF3 0.8809
704 VM1 0.8808
705 AZ9 0.8807
706 650 0.8806
707 TRP 0.8804
708 E4P 0.8802
709 F9Y 0.8802
710 5RO 0.8802
711 PPT 0.8801
712 DE3 0.8801
713 DNF 0.8800
714 4FH 0.8798
715 DXP 0.8797
716 QMR 0.8796
717 QWN 0.8795
718 VC3 0.8795
719 IFP 0.8794
720 QME 0.8794
721 XRX 0.8793
722 2K8 0.8793
723 R9Y 0.8793
724 MEQ 0.8792
725 YRL 0.8787
726 270 0.8786
727 Z82 0.8785
728 EKZ 0.8782
729 KUF 0.8782
730 MNN 0.8781
731 2LT 0.8781
732 BY5 0.8781
733 LO1 0.8780
734 JAE 0.8779
735 H5B 0.8776
736 4Z3 0.8775
737 SAN 0.8773
738 AMR 0.8773
739 SKM 0.8773
740 5RN 0.8772
741 DQA 0.8772
742 M4S 0.8771
743 GDE 0.8771
744 HWD 0.8770
745 JMG 0.8770
746 CCE 0.8770
747 7ME 0.8770
748 VNL 0.8769
749 S3C 0.8765
750 JP2 0.8765
751 9W5 0.8764
752 JBZ 0.8763
753 LMR 0.8763
754 P9E 0.8762
755 4TU 0.8762
756 HHS 0.8762
757 IV2 0.8761
758 BEZ 0.8759
759 ARG 0.8759
760 5XB 0.8759
761 A7K 0.8759
762 CXF 0.8758
763 HNM 0.8758
764 FWD 0.8755
765 5H6 0.8754
766 B62 0.8754
767 KYA 0.8754
768 SSB 0.8753
769 FBS 0.8752
770 KMH 0.8747
771 AEF 0.8746
772 QXW 0.8745
773 ITE 0.8745
774 MXN 0.8744
775 AVI 0.8744
776 PRZ 0.8743
777 ASP 0.8743
778 DUR 0.8743
779 4VY 0.8741
780 QX4 0.8741
781 HSX 0.8738
782 8W9 0.8736
783 A7W 0.8732
784 LR8 0.8730
785 K7H 0.8730
786 CWD 0.8730
787 4AA 0.8729
788 SRO 0.8729
789 0OC 0.8729
790 4Z4 0.8728
791 7MW 0.8727
792 M2K 0.8727
793 TR4 0.8727
794 SKA 0.8726
795 54X 0.8725
796 0FR 0.8725
797 4J8 0.8724
798 P92 0.8723
799 MRW 0.8723
800 9AP 0.8723
801 DQU 0.8723
802 89J 0.8722
803 2GD 0.8722
804 V2Z 0.8721
805 PXL 0.8719
806 WVV 0.8718
807 XBT 0.8716
808 PH2 0.8716
809 3C5 0.8716
810 ZXD 0.8715
811 NAG 0.8714
812 9SE 0.8711
813 DOB 0.8711
814 FA0 0.8711
815 7W4 0.8710
816 CN0 0.8710
817 ROI 0.8710
818 DCZ 0.8706
819 LEL 0.8705
820 NMM 0.8705
821 A4N 0.8705
822 5TT 0.8705
823 833 0.8703
824 BHA 0.8702
825 1Z8 0.8700
826 BGC 0.8700
827 MR1 0.8698
828 9FG 0.8698
829 0XT 0.8698
830 L15 0.8698
831 H70 0.8697
832 JYB 0.8697
833 I3A 0.8696
834 CCD 0.8696
835 OA1 0.8696
836 EUE 0.8696
837 44V 0.8695
838 DHR 0.8693
839 3OC 0.8693
840 PDC 0.8692
841 0SY 0.8692
842 0LO 0.8692
843 1KN 0.8691
844 4MU 0.8690
845 R9G 0.8690
846 61O 0.8689
847 OVM 0.8689
848 MSL 0.8689
849 BAM 0.8688
850 NM2 0.8688
851 DX3 0.8688
852 13P 0.8687
853 PBQ 0.8686
854 5FL 0.8685
855 CLZ 0.8685
856 8CM 0.8681
857 GPF 0.8680
858 MLT 0.8680
859 TOF 0.8680
860 XQ0 0.8679
861 5F8 0.8678
862 4M0 0.8677
863 AAS 0.8676
864 PGH 0.8676
865 R8V 0.8675
866 LDR 0.8675
867 TZL 0.8675
868 ZBT 0.8675
869 28N 0.8675
870 0FO 0.8673
871 TIA 0.8672
872 4JC 0.8670
873 G12 0.8670
874 IZC 0.8669
875 22L 0.8667
876 6MW 0.8666
877 5F5 0.8666
878 1ZC 0.8666
879 SZ7 0.8665
880 OAA 0.8665
881 0P6 0.8664
882 41K 0.8664
883 M6W 0.8662
884 RM1 0.8662
885 BEN 0.8662
886 A4T 0.8660
887 FAN 0.8658
888 QSH 0.8658
889 JTH 0.8657
890 2UZ 0.8656
891 6P3 0.8654
892 TJM 0.8654
893 BDP 0.8652
894 3HP 0.8651
895 MIL 0.8650
896 KLS 0.8650
897 APS 0.8649
898 MD6 0.8649
899 5CU 0.8648
900 DNA 0.8648
901 GPJ 0.8647
902 4CM 0.8646
903 BWD 0.8646
904 ZRK 0.8645
905 G3H 0.8645
906 IWD 0.8643
907 OTW 0.8642
908 449 0.8642
909 XHP 0.8639
910 XM0 0.8639
911 MJ5 0.8637
912 GAB 0.8637
913 5NU 0.8635
914 PBC 0.8634
915 HNT 0.8633
916 BQ5 0.8631
917 AU8 0.8631
918 CWS 0.8630
919 FGZ 0.8627
920 XI7 0.8626
921 HJ8 0.8626
922 FYR 0.8624
923 PQM 0.8623
924 ORN 0.8622
925 COI 0.8620
926 28B 0.8620
927 NCA 0.8617
928 5O6 0.8615
929 692 0.8614
930 RP5 0.8613
931 44W 0.8608
932 A5P 0.8608
933 NE2 0.8607
934 2AK 0.8604
935 GGB 0.8603
936 OMD 0.8603
937 MVN 0.8601
938 1CY 0.8599
939 PEP 0.8596
940 G3P 0.8595
941 FA3 0.8593
942 WS7 0.8592
943 EWG 0.8591
944 BPU 0.8589
945 M78 0.8588
946 CNI 0.8588
947 UNU 0.8587
948 3HB 0.8585
949 NIO 0.8583
950 SQP 0.8583
951 53C 0.8582
952 3Z8 0.8578
953 URC 0.8575
954 0FN 0.8570
955 KOJ 0.8569
956 4ME 0.8567
957 STT 0.8564
958 6L6 0.8561
959 TLM 0.8560
960 J9W 0.8556
961 HHR 0.8555
962 6PC 0.8555
963 CSN 0.8553
964 DHZ 0.8552
965 TH7 0.8549
966 5AD 0.8542
967 QBP 0.8539
968 AUV 0.8535
969 M6Z 0.8533
970 WCE 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6OQB; Ligand: N0J; 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: 6oqb.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6OQB; Ligand: N0J; 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: 6oqb.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6OQB; Ligand: N0J; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6oqb.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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