Receptor
PDB id Resolution Class Description Source Keywords
5DTS 1.94 Å EC: 3.5.2.6 FRAGMENTS BOUND TO THE OXA-48 BETA-LACTAMASE: COMPOUND 2 KLEBSIELLA PNEUMONIAE INHIBITOR COMPLEX FRAGMENT LACTAMASE HYDROLASE
Ref.: SCREENING AND DESIGN OF INHIBITOR SCAFFOLDS FOR THE ANTIBIOTIC RESISTANCE OXACILLINASE-48 (OXA-48) THRO SURFACE PLASMON RESONANCE SCREENING. J.MED.CHEM. V. 59 5542 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5F8 D:301;
A:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 280 uM
199.205 C12 H9 N O2 c1cc(...
CL A:302;
B:302;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UVK 2.2 Å EC: 3.5.2.6 OXA-48 BOUND BY INHIBITOR CDD-97 KLEBSIELLA PNEUMONIAE INHIBITOR BETA-LACTAMASE OXA-48 HYDROLASE-HYDROLASE INHIBCOMPLEX
Ref.: IDENTIFYING OXACILLINASE-48 CARBAPENEMASE INHIBITOR DNA-ENCODED CHEMICAL LIBRARIES. ACS INFECT DIS. V. 6 1214 2020
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5QAE Kd = 240 uM Q4G C13 H9 F O2 c1cc(cc(c1....
2 5QAW Kd = 400 uM TVC C17 H12 O2 c1ccc2cc(c....
3 5QAJ Kd = 330 uM VBC C13 H11 N O2 c1cc(cc(c1....
4 5QB2 Kd = 70 uM U3M C25 H16 N2 O2 c1cc2ccc(c....
5 5QAV Kd = 70 uM L43 C14 H10 N4 O2 c1cc(cc(c1....
6 5QAK Kd = 220 uM AV4 C15 H15 N O2 CN(C)c1ccc....
7 5QAS Kd = 190 uM CVF C17 H17 N O3 CC(=O)NCCc....
8 5QAZ Kd = 400 uM Q2S C15 H11 N O2 c1cc(cc(c1....
9 5QAP Kd = 100 uM AV7 C15 H13 N O3 CC(=O)Nc1c....
10 5QB1 Kd = 20 uM F1C C23 H20 N2 O4 CC(=O)Nc1c....
11 5QAU Kd = 70 uM V7V C14 H10 N4 O2 c1cc(cc(c1....
12 5QAC Kd = 250 uM U4J C14 H12 O3 COc1ccc(cc....
13 5DTT Kd = 310 uM 5F5 C10 H7 N O2 S c1cc(cc(c1....
14 5QAR Kd = 170 uM QIU C17 H17 N O3 CC(=O)NCCc....
15 5QAT Kd = 140 uM T7O C16 H14 O4 CC(=O)OCc1....
16 5QAD Kd = 170 uM WVV C13 H9 F O2 c1ccc(c(c1....
17 6P9C - 4J6 C15 H26 N4 O6 S2 C[C@@H]1[C....
18 5QA9 Kd = 230 uM QKU C14 H12 O3 c1cc(cc(c1....
19 5QAN Kd = 110 uM M8Q C15 H15 N O4 S CS(=O)(=O)....
20 5QAH Kd = 144 uM EFX C15 H12 O4 COC(=O)c1c....
21 6UVK Ki = 0.53 uM QHY C21 H28 N6 O3 CCOc1ccccc....
22 5QAQ Kd = 290 uM S1C C15 H13 N O3 CC(=O)Nc1c....
23 5DTK Kd = 50 uM 5F3 C17 H12 N2 O2 c1cnccc1c2....
24 5QB0 Kd = 159 uM AVA C12 H9 N O2 c1ccnc(c1)....
25 5QAF Kd = 312 uM S1D C13 H9 F O2 c1cc(cc(c1....
26 5QA4 Kd = 170 uM TI7 C14 H12 O2 Cc1ccccc1c....
27 5QAA Kd = 123 uM EAJ C14 H12 O3 COc1ccccc1....
28 5QAO Kd = 240 uM Z8R C15 H15 N O4 S CS(=O)(=O)....
29 5QAB Kd = 226 uM XEV C14 H12 O3 COc1cccc(c....
30 5QA7 Kd = 110 uM IQQ C13 H10 O3 c1cc(cc(c1....
31 5QAI Kd = 150 uM VM7 C14 H12 O4 S CS(=O)(=O)....
32 5QB3 Kd = 49 uM AVM C24 H18 N2 O3 CC(=O)Nc1c....
33 5QA5 Kd = 300 uM L5D C14 H12 O2 Cc1cccc(c1....
34 5QA8 Kd = 170 uM JSX C13 H10 O3 c1cc(cc(c1....
35 5QAL Kd = 350 uM TVZ C14 H11 N O3 c1cc(cc(c1....
36 5DVA Kd = 280 uM 5FL C12 H9 N O2 c1cc(cc(c1....
37 6PK0 - HIW C12 H19 N3 O5 S [H]/N=CNCC....
38 5QAY Kd = 590 uM X6P C12 H11 N O2 Cn1cccc1c2....
39 6P99 - 1RG C22 H27 N3 O7 S C[C@@H]1[C....
40 5QA6 Kd = 175 uM AUV C13 H10 O3 c1ccc(c(c1....
41 5QAM Kd = 100 uM GA6 C14 H13 N O4 S CS(=O)(=O)....
42 5DTS Kd = 280 uM 5F8 C12 H9 N O2 c1cc(cc(c1....
43 5QAX Kd = 160 uM Q92 C16 H11 N O2 c1cc(cc(c1....
44 5QAG Kd = 200 uM Q2R C15 H12 O4 COC(=O)c1c....
45 4K0W - CIT C6 H8 O7 C(C(=O)O)C....
46 6N6T - FLC C6 H5 O7 C(C(=O)[O-....
47 4JF5 - FLC C6 H5 O7 C(C(=O)[O-....
48 5TG5 - JW8 C9 H12 B N O4 S B(c1ccc(cc....
49 2WGV - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5F8; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 5F8 1 1
2 5FL 0.586957 1
3 PQM 0.565217 1
4 L5D 0.520833 0.684211
5 NIO 0.487805 0.789474
6 Q2S 0.482143 0.68
7 61O 0.48 0.9
8 TVC 0.462963 0.65
9 Q92 0.457627 0.857143
10 AVA 0.442308 0.947368
11 TI7 0.433962 0.619048
12 7L9 0.40678 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: 5F8; Similar ligands found: 767
No: Ligand Similarity coefficient
1 0LO 1.0000
2 VM1 0.9898
3 5TZ 0.9887
4 5F5 0.9886
5 EWG 0.9847
6 LEL 0.9836
7 Q4G 0.9778
8 78Y 0.9777
9 IQQ 0.9771
10 S1D 0.9756
11 AUV 0.9750
12 JSX 0.9745
13 VBC 0.9737
14 LL1 0.9692
15 RKV 0.9653
16 U7E 0.9651
17 4FF 0.9644
18 WVV 0.9623
19 LFQ 0.9618
20 5B2 0.9615
21 XI7 0.9615
22 X6P 0.9604
23 5P3 0.9603
24 K48 0.9600
25 49P 0.9583
26 5E5 0.9579
27 ZZA 0.9574
28 2D2 0.9570
29 1ER 0.9559
30 DXK 0.9553
31 L1T 0.9532
32 D2G 0.9526
33 KWB 0.9524
34 4AU 0.9519
35 G14 0.9517
36 RVE 0.9516
37 FCD 0.9507
38 TCR 0.9493
39 60L 0.9493
40 7L4 0.9492
41 YE6 0.9487
42 2GQ 0.9473
43 BIK 0.9467
44 363 0.9462
45 6MW 0.9462
46 D3G 0.9461
47 A9B 0.9461
48 D1G 0.9460
49 3D8 0.9458
50 II4 0.9455
51 4G2 0.9454
52 SSY 0.9449
53 P4L 0.9439
54 9UL 0.9430
55 3C5 0.9427
56 IQ5 0.9422
57 ODK 0.9416
58 3VQ 0.9413
59 KCH 0.9412
60 1SF 0.9410
61 28A 0.9410
62 F40 0.9404
63 0K7 0.9402
64 XEV 0.9393
65 PIQ 0.9389
66 A6W 0.9382
67 X6W 0.9380
68 7ZL 0.9380
69 5C1 0.9378
70 V2Z 0.9376
71 3GV 0.9373
72 XDK 0.9373
73 JCZ 0.9366
74 BVS 0.9361
75 A5H 0.9349
76 AED 0.9349
77 C0W 0.9347
78 JF5 0.9344
79 2UZ 0.9342
80 QR2 0.9341
81 5NN 0.9338
82 U4J 0.9338
83 EAJ 0.9336
84 HH6 0.9335
85 GNV 0.9334
86 4GU 0.9334
87 RK4 0.9331
88 NK5 0.9330
89 1XS 0.9326
90 0UL 0.9325
91 3IL 0.9323
92 L03 0.9319
93 JTA 0.9319
94 9CE 0.9318
95 BZE 0.9316
96 UN3 0.9316
97 M3E 0.9316
98 0DF 0.9315
99 BZQ 0.9315
100 7O4 0.9302
101 0NX 0.9298
102 KLE 0.9294
103 NIR 0.9289
104 QKU 0.9288
105 6FG 0.9288
106 JMG 0.9287
107 MIL 0.9286
108 3GX 0.9281
109 28B 0.9279
110 BP7 0.9277
111 795 0.9273
112 5H6 0.9273
113 5JT 0.9272
114 FC2 0.9269
115 AMR 0.9263
116 6J9 0.9261
117 ZME 0.9259
118 5TO 0.9257
119 6C8 0.9255
120 JWS 0.9253
121 TRP 0.9253
122 TIA 0.9252
123 M5H 0.9251
124 22L 0.9250
125 PUE 0.9247
126 HA6 0.9246
127 833 0.9245
128 6DQ 0.9244
129 1FL 0.9243
130 2QU 0.9243
131 YE7 0.9240
132 8CC 0.9238
133 A73 0.9238
134 DTR 0.9237
135 BZJ 0.9236
136 2JX 0.9232
137 LZ5 0.9232
138 LTN 0.9227
139 1FE 0.9223
140 1ZC 0.9218
141 1V1 0.9216
142 MMJ 0.9214
143 IDZ 0.9211
144 C4E 0.9210
145 ISJ 0.9202
146 X48 0.9200
147 8G6 0.9199
148 344 0.9199
149 20D 0.9196
150 SOV 0.9195
151 ZIQ 0.9195
152 P93 0.9193
153 OCZ 0.9188
154 NFZ 0.9188
155 2GD 0.9186
156 0SY 0.9185
157 EV2 0.9184
158 KP2 0.9182
159 FQX 0.9181
160 GZ2 0.9178
161 IOP 0.9173
162 R20 0.9170
163 B2T 0.9170
164 C82 0.9170
165 JFS 0.9166
166 AJ1 0.9165
167 EQA 0.9165
168 LJ3 0.9163
169 NIY 0.9162
170 LWS 0.9157
171 BPY 0.9156
172 HQJ 0.9155
173 LR2 0.9152
174 9JT 0.9150
175 3VW 0.9147
176 BZM 0.9147
177 1VK 0.9146
178 6NZ 0.9145
179 KYN 0.9142
180 2QV 0.9141
181 2LW 0.9141
182 6C5 0.9141
183 X2M 0.9140
184 272 0.9140
185 L22 0.9137
186 EVO 0.9133
187 L5V 0.9132
188 6C9 0.9132
189 JGY 0.9131
190 BGU 0.9131
191 55D 0.9131
192 DRG 0.9131
193 I2E 0.9131
194 6TZ 0.9129
195 5V7 0.9126
196 1AJ 0.9126
197 X11 0.9126
198 BQ2 0.9123
199 WLH 0.9122
200 47V 0.9121
201 RGK 0.9118
202 AVX 0.9116
203 JP2 0.9116
204 9BF 0.9111
205 S60 0.9110
206 JBZ 0.9106
207 3CA 0.9105
208 W8L 0.9105
209 25F 0.9105
210 YTX 0.9101
211 QIV 0.9099
212 NKI 0.9099
213 4Z9 0.9098
214 BBY 0.9098
215 108 0.9098
216 M1Z 0.9098
217 0FR 0.9098
218 C53 0.9095
219 GNR 0.9094
220 DFL 0.9093
221 ANC 0.9093
222 3SU 0.9091
223 27M 0.9091
224 NAL 0.9089
225 SZ5 0.9088
226 2P3 0.9086
227 4XF 0.9085
228 Q0K 0.9084
229 1V4 0.9082
230 3F4 0.9081
231 KF5 0.9081
232 ZEA 0.9079
233 FER 0.9077
234 VFM 0.9077
235 U14 0.9076
236 7I2 0.9075
237 VFG 0.9074
238 WCU 0.9073
239 CDJ 0.9073
240 6FB 0.9069
241 9XZ 0.9069
242 8NX 0.9069
243 ZYV 0.9064
244 B4O 0.9063
245 ONR 0.9062
246 LNN 0.9059
247 D1Y 0.9058
248 6HO 0.9057
249 IWT 0.9057
250 GNJ 0.9057
251 1V3 0.9056
252 6QF 0.9055
253 EYJ 0.9054
254 BQ5 0.9054
255 M4N 0.9053
256 ZRK 0.9052
257 4V2 0.9050
258 OA1 0.9050
259 P9I 0.9049
260 92G 0.9047
261 3Y7 0.9047
262 4I8 0.9046
263 1HP 0.9044
264 H2W 0.9043
265 KWV 0.9040
266 YZ9 0.9040
267 BSA 0.9039
268 1HR 0.9037
269 MUK 0.9037
270 J38 0.9036
271 CK2 0.9034
272 1X8 0.9030
273 KW8 0.9030
274 THM 0.9028
275 4F8 0.9027
276 FHI 0.9027
277 8D6 0.9025
278 E9L 0.9024
279 CSN 0.9024
280 CKA 0.9024
281 PZX 0.9024
282 6PB 0.9014
283 TMG 0.9014
284 MEX 0.9013
285 7MW 0.9012
286 3CX 0.9012
287 DBE 0.9009
288 7VF 0.9009
289 DDC 0.9009
290 ISC 0.9008
291 NIF 0.9008
292 VT3 0.9008
293 CH9 0.9007
294 492 0.9007
295 4ZF 0.9007
296 GNY 0.9007
297 54X 0.9005
298 1A7 0.9004
299 TJM 0.9002
300 C0H 0.9002
301 30G 0.9001
302 MD6 0.9000
303 M3W 0.8999
304 EQW 0.8999
305 NNR 0.8993
306 CNI 0.8992
307 0F9 0.8992
308 0RY 0.8992
309 0OL 0.8988
310 9FH 0.8987
311 B21 0.8987
312 39Z 0.8987
313 RA7 0.8985
314 MXD 0.8985
315 XCG 0.8984
316 36M 0.8984
317 F18 0.8983
318 S7S 0.8981
319 U13 0.8981
320 ERZ 0.8980
321 PRL 0.8978
322 TIZ 0.8978
323 MZM 0.8977
324 IQZ 0.8976
325 36Z 0.8976
326 EXR 0.8974
327 3DE 0.8972
328 DX2 0.8969
329 M83 0.8968
330 N7I 0.8968
331 96Z 0.8967
332 FHV 0.8967
333 GJK 0.8963
334 AZY 0.8963
335 6QT 0.8960
336 H7S 0.8960
337 HRM 0.8958
338 FZ0 0.8958
339 B4L 0.8957
340 AP6 0.8956
341 TT4 0.8956
342 7G2 0.8955
343 3VX 0.8955
344 Y3L 0.8955
345 774 0.8954
346 QMS 0.8949
347 WUB 0.8948
348 JF8 0.8948
349 AZM 0.8947
350 RSV 0.8944
351 CK1 0.8942
352 61M 0.8940
353 VXX 0.8940
354 5WN 0.8937
355 GO2 0.8936
356 2UD 0.8936
357 4BL 0.8935
358 AJD 0.8931
359 14W 0.8931
360 N9J 0.8931
361 NRA 0.8930
362 P80 0.8929
363 XFE 0.8928
364 7VP 0.8927
365 549 0.8926
366 H35 0.8924
367 3RP 0.8924
368 1Q4 0.8922
369 P7V 0.8922
370 6JO 0.8922
371 6C4 0.8921
372 5GT 0.8921
373 HJH 0.8919
374 5WT 0.8919
375 7EH 0.8918
376 HKK 0.8915
377 BXZ 0.8914
378 MUR 0.8913
379 4Z1 0.8912
380 YZM 0.8911
381 VGS 0.8909
382 W29 0.8909
383 F63 0.8908
384 IOS 0.8907
385 DNQ 0.8906
386 PZ8 0.8906
387 5AD 0.8905
388 TR4 0.8905
389 692 0.8905
390 4BY 0.8904
391 SOJ 0.8903
392 90G 0.8903
393 OAI 0.8903
394 ID8 0.8901
395 FTV 0.8900
396 68B 0.8899
397 19E 0.8899
398 0OY 0.8895
399 F2W 0.8890
400 4NR 0.8890
401 HA5 0.8890
402 LDR 0.8889
403 SNJ 0.8888
404 WDW 0.8887
405 D9Z 0.8886
406 CFA 0.8885
407 7M2 0.8885
408 SQV 0.8884
409 D25 0.8884
410 DHC 0.8881
411 9AP 0.8880
412 7M5 0.8878
413 KMY 0.8877
414 6KT 0.8876
415 3QV 0.8876
416 3ZB 0.8876
417 R9G 0.8875
418 CU8 0.8873
419 CC5 0.8873
420 9RM 0.8873
421 FF2 0.8873
422 ITE 0.8872
423 LI7 0.8871
424 L98 0.8871
425 RD4 0.8871
426 MJW 0.8871
427 CXH 0.8871
428 JI2 0.8870
429 PD2 0.8869
430 657 0.8868
431 DDU 0.8868
432 2PK 0.8866
433 GOE 0.8866
434 TOH 0.8866
435 GXG 0.8864
436 5KN 0.8864
437 2F6 0.8864
438 E9S 0.8858
439 RCV 0.8858
440 B1J 0.8856
441 N91 0.8856
442 ITW 0.8855
443 MNP 0.8855
444 JRO 0.8853
445 CX4 0.8853
446 78U 0.8853
447 M78 0.8852
448 CBE 0.8852
449 5ZM 0.8851
450 U12 0.8851
451 0W1 0.8851
452 THA 0.8851
453 6J3 0.8850
454 M4E 0.8850
455 1L5 0.8849
456 TVZ 0.8847
457 VAO 0.8845
458 NWD 0.8845
459 1QP 0.8845
460 6ZW 0.8845
461 IQW 0.8844
462 ENO 0.8844
463 2FX 0.8844
464 ANF 0.8844
465 ALE 0.8843
466 LIG 0.8841
467 AY4 0.8840
468 UKV 0.8839
469 3J8 0.8839
470 JG8 0.8838
471 X0W 0.8838
472 69W 0.8838
473 AJG 0.8837
474 9F8 0.8836
475 DEW 0.8836
476 CZ0 0.8834
477 68A 0.8834
478 TZM 0.8833
479 57D 0.8832
480 B41 0.8832
481 5E4 0.8830
482 428 0.8829
483 VUP 0.8828
484 4EU 0.8827
485 GXD 0.8827
486 7R4 0.8826
487 5GV 0.8826
488 HSA 0.8823
489 VJJ 0.8823
490 2JK 0.8822
491 7MX 0.8821
492 DUR 0.8821
493 OKM 0.8821
494 DCZ 0.8821
495 5VU 0.8821
496 UNJ 0.8821
497 C2Y 0.8820
498 MS0 0.8819
499 HX4 0.8817
500 CFK 0.8810
501 KW7 0.8810
502 THU 0.8809
503 G30 0.8809
504 6XC 0.8807
505 ZEZ 0.8806
506 VFJ 0.8805
507 78P 0.8805
508 SSC 0.8804
509 Q8G 0.8804
510 3TC 0.8803
511 H4E 0.8802
512 4FP 0.8802
513 NQ7 0.8802
514 HNT 0.8801
515 SB7 0.8801
516 25O 0.8801
517 AJY 0.8800
518 37E 0.8796
519 V1T 0.8795
520 IK1 0.8795
521 2PV 0.8795
522 JR2 0.8794
523 94W 0.8793
524 8UY 0.8791
525 ET0 0.8790
526 GF4 0.8788
527 CHQ 0.8787
528 92P 0.8787
529 ZIP 0.8787
530 9FE 0.8787
531 LUM 0.8786
532 ZRL 0.8786
533 MPV 0.8785
534 SU9 0.8784
535 463 0.8784
536 Z21 0.8783
537 K80 0.8783
538 S62 0.8782
539 URI 0.8782
540 51Y 0.8781
541 B86 0.8780
542 P1J 0.8780
543 GZV 0.8779
544 8HH 0.8777
545 LJ4 0.8776
546 N3W 0.8776
547 2WU 0.8776
548 DFV 0.8772
549 HL6 0.8772
550 R8Y 0.8772
551 2GE 0.8771
552 91F 0.8771
553 BJ4 0.8771
554 8NB 0.8770
555 EN1 0.8769
556 3JC 0.8769
557 ID2 0.8769
558 89J 0.8767
559 KPV 0.8766
560 2O6 0.8765
561 S98 0.8763
562 HWH 0.8763
563 J1K 0.8760
564 X0U 0.8760
565 CUE 0.8760
566 A51 0.8759
567 MCY 0.8758
568 MKN 0.8758
569 WOE 0.8756
570 NAG 0.8755
571 M6Z 0.8755
572 28S 0.8755
573 TU0 0.8754
574 Q5M 0.8754
575 F6P 0.8752
576 4CN 0.8752
577 A29 0.8751
578 0DN 0.8751
579 K6B 0.8750
580 DAH 0.8750
581 3DT 0.8746
582 5LD 0.8745
583 EZN 0.8744
584 DBS 0.8744
585 XZ8 0.8744
586 LF5 0.8743
587 G6P 0.8742
588 IPO 0.8742
589 DBQ 0.8739
590 0JD 0.8739
591 6DP 0.8738
592 11X 0.8737
593 8WZ 0.8736
594 NLQ 0.8736
595 TLF 0.8735
596 HNM 0.8733
597 FZM 0.8732
598 OTA 0.8731
599 ELH 0.8731
600 MFR 0.8730
601 15Q 0.8729
602 S8G 0.8728
603 DNF 0.8728
604 SKF 0.8727
605 CKU 0.8726
606 NE2 0.8726
607 8RK 0.8726
608 S3P 0.8725
609 GO8 0.8725
610 5AE 0.8725
611 NDG 0.8724
612 PF1 0.8724
613 EFX 0.8724
614 FWD 0.8722
615 FDR 0.8721
616 6JM 0.8720
617 0OP 0.8720
618 H4B 0.8719
619 ESI 0.8718
620 KOM 0.8717
621 2UV 0.8716
622 S0D 0.8715
623 SRO 0.8714
624 8XL 0.8713
625 B23 0.8710
626 BY5 0.8706
627 CWD 0.8700
628 RQD 0.8700
629 5RP 0.8700
630 9FG 0.8700
631 977 0.8700
632 OW7 0.8698
633 HJ7 0.8698
634 FMQ 0.8696
635 AJ4 0.8693
636 TQU 0.8693
637 CJZ 0.8693
638 HBO 0.8693
639 KTW 0.8693
640 FYR 0.8692
641 BP3 0.8692
642 5DL 0.8690
643 S0E 0.8690
644 4TU 0.8689
645 46P 0.8686
646 0XT 0.8684
647 92O 0.8683
648 WS7 0.8682
649 ZSP 0.8681
650 TYR 0.8680
651 7FU 0.8679
652 EV3 0.8678
653 BNL 0.8678
654 JGB 0.8677
655 PDC 0.8676
656 XM5 0.8674
657 P9E 0.8673
658 AOY 0.8672
659 8G0 0.8668
660 ZYQ 0.8667
661 J9N 0.8666
662 MR6 0.8665
663 9R5 0.8664
664 5OO 0.8662
665 HRX 0.8662
666 PRO GLY 0.8662
667 A63 0.8660
668 GVI 0.8660
669 TB8 0.8659
670 50C 0.8659
671 NPA 0.8658
672 5BT 0.8656
673 8HG 0.8655
674 CIY 0.8654
675 3D1 0.8651
676 IYR 0.8651
677 08C 0.8650
678 15N 0.8649
679 R2P 0.8648
680 BIO 0.8647
681 GT4 0.8645
682 TSS 0.8642
683 N2Y 0.8642
684 STV 0.8642
685 CLI 0.8639
686 SLS 0.8638
687 H70 0.8638
688 IA2 0.8637
689 A1Y 0.8637
690 AH3 0.8636
691 F4E 0.8636
692 RAY 0.8633
693 GJP 0.8630
694 O2Y 0.8630
695 DX7 0.8628
696 54E 0.8628
697 AWE 0.8626
698 9ZE 0.8624
699 PPY 0.8624
700 BL0 0.8623
701 EUE 0.8623
702 38E 0.8622
703 GVY 0.8622
704 HBI 0.8620
705 WSD 0.8620
706 2HC 0.8620
707 AGI 0.8619
708 Q9T 0.8619
709 PLP 0.8618
710 HC4 0.8617
711 7XX 0.8616
712 K7H 0.8615
713 BWD 0.8612
714 GB4 0.8612
715 XYP XYP 0.8611
716 BA5 0.8611
717 535 0.8609
718 LP8 0.8607
719 F1X 0.8606
720 SNB 0.8606
721 DNC 0.8604
722 BK9 0.8601
723 6R8 0.8600
724 M9N 0.8600
725 3WL 0.8599
726 RFZ 0.8599
727 CE2 0.8594
728 HLD 0.8587
729 0FK 0.8585
730 S2T 0.8585
731 IWD 0.8583
732 XRS 0.8583
733 NE1 0.8581
734 E3X 0.8580
735 BG6 0.8580
736 FHC 0.8578
737 PH2 0.8577
738 CL9 0.8577
739 6HX 0.8576
740 A5E 0.8574
741 1F1 0.8574
742 PBQ 0.8574
743 0GZ 0.8572
744 2OH 0.8571
745 6H2 0.8570
746 38B 0.8569
747 5O6 0.8567
748 AX3 0.8565
749 5NI 0.8564
750 G6Q 0.8564
751 0XR 0.8563
752 6ZX 0.8560
753 4LV 0.8560
754 PRZ 0.8551
755 MER 0.8548
756 3VS 0.8548
757 MVH 0.8546
758 HJ8 0.8542
759 5WM 0.8539
760 4R1 0.8531
761 4FE 0.8531
762 FUD 0.8530
763 6HP 0.8528
764 1PS 0.8528
765 MR4 0.8522
766 JXT 0.8518
767 4NS 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6UVK; Ligand: QHY; 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: 6uvk.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6UVK; Ligand: QHY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6uvk.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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