Receptor
PDB id Resolution Class Description Source Keywords
5NOR 1.8 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3-METHYLPYRIDIN-2 HOMO SAPIENS LIGAND COMPLEX BETA BARREL PROLYL CIS/TRANS ISOMERASE CYTISOMERASE
Ref.: PUSHING THE LIMITS OF DETECTION OF WEAK BINDING USI FRAGMENT-BASED DRUG DISCOVERY: IDENTIFICATION OF NE CYCLOPHILIN BINDERS. J. MOL. BIOL. V. 429 2556 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
93Q A:202;
A:201;
Valid;
Valid;
none;
none;
submit data
108.141 C6 H8 N2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YND 1.6 Å EC: 5.2.1.8 STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6A RESOLUTION HOMO SAPIENS BETA SANDWICH CYCLOPHILIN-LIGAND COMPLEX CYCLOSPORIN ISOMERASE ROTAMASE
Ref.: STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6 A RESOLUTION. J.BIOL.CHEM. V. 280 21965 2005
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
40 6R9X Kd = 1.1 mM JW2 C13 H17 N3 O2 c1ccnc(c1)....
41 4ZSD - 7I6 C24 H32 N4 O2 S2 CSCC[C@@H]....
42 4XNC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
43 4ZSC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
44 6RA1 - JWB C11 H13 N O4 C1C[C@H]2C....
45 6R8W Kd = 1.2 uM JVH C23 H27 N3 O5 c1cc2c(cc1....
46 6R8O Kd = 0.67 uM JV2 C26 H32 N4 O4 S CSc1ccccc1....
47 6R8L Kd = 0.006 uM JUZ C26 H32 N4 O4 S CSc1ccccc1....
48 6R9U Kd = 7.5 mM JVQ C13 H16 N2 O3 CCN1Cc2cc3....
49 6R9S Kd = 7.1 mM JVN C11 H12 F N O2 c1cc2c(cc1....
50 5YBA Kd = 16.81 uM GLU TYR GLY PRO LYS TRP ASN LYS n/a n/a
51 1VDN - ACE ALA ALA PRO ALA MCM n/a n/a
52 1E8K - ALA PRO n/a n/a
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5NOR - 93Q C6 H8 N2 Cc1cccnc1N
2 5T9W Kd = 2600 nM 78E C30 H42 N4 O6 CC(C)[C@H]....
3 5NOV - 93B C4 H8 N2 S C1CNC(=S)N....
4 6X4O Kd = 10 nM UO7 C28 H35 N5 O5 C[C@@H]1c2....
5 5NOS - 92Z C5 H6 N2 O C1C=C(C(=O....
6 4DGB - PRO GLY PRO LEU PRO ALA n/a n/a
7 1W8L Ki = 320 mM 1P3 C8 H15 N O C[C@@H]1CC....
8 5T9U Kd = 25 nM 7HG C34 H50 N4 O8 C[C@H]1[C@....
9 1AWV - HIS VAL GLY PRO ILE ALA n/a n/a
10 5TA2 Kd = 11 nM 78X C36 H48 N4 O7 C[C@@H]1c2....
11 5NOT - 938 C4 H4 Cl N3 c1c(c(ncn1....
12 5T9Z Kd = 64 nM 78R C35 H46 N4 O7 C[C@@H]1[C....
13 5NOX - L97 C5 H5 Cl N2 c1cc(c(nc1....
14 5CYH - GLY PRO n/a n/a
15 2CYH - ALA PRO n/a n/a
16 1AWU - HIS VAL GLY PRO ILE ALA n/a n/a
17 1VBT - ALA ALT PRO PHE NIT n/a n/a
18 5TA4 Kd = 24 nM 838 C30 H44 N4 O6 C[C@@H]1c2....
19 5NOY - 93K C7 H9 N3 O c1cc(c(cc1....
20 1YND ic50 = 3.6 nM SFA C60 H91 N5 O13 CC[C@H]1C[....
21 6X4P Kd = 14 nM UOG C30 H39 N5 O5 C[C@@H]1c2....
22 6X4Q Kd = 9 nM UOJ C31 H39 N5 O5 C[C@@H]1c2....
23 5NOZ - L99 C7 H10 N4 O c1cc(c(cc1....
24 3CYH - SER PRO n/a n/a
25 1NMK ic50 = 5.7 nM SFM C39 H56 N4 O10 C[C@H]1[C@....
26 6X4N Kd = 4 nM UOD C30 H39 N5 O5 C[C@@H]1c2....
27 5NOW - L89 C5 H7 N3 c1cncc(c1N....
28 6X3Y Kd = 10000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
29 6X4M Kd = 11000 nM UMM C28 H42 N4 O7 CC(C)[C@@H....
30 4CYH - HIS PRO n/a n/a
31 1RMH - SIN ALA ALA PRO PHE NIT n/a n/a
32 1AWR - HIS ALA GLY PRO ILE ALA n/a n/a
33 1AWQ - HIS ALA GLY PRO ILE ALA n/a n/a
34 5LUD - 76X C5 H7 N3 c1cc(c(nc1....
35 1VBS - ALA DAL PRO PHE NIT n/a n/a
36 5NOQ - 93E C5 H5 Cl N2 c1cc(c(nc1....
37 1W8M Ki = 25 mM E1P C9 H15 N O3 CCOC(=O)C(....
38 6X3R Kd = 30000 nM ZXX C22 H32 N4 O6 CC(C)[C@@H....
39 5NOU - L60 C4 H8 N2 O C1CNC(=O)N....
40 6R9X Kd = 1.1 mM JW2 C13 H17 N3 O2 c1ccnc(c1)....
41 4ZSD - 7I6 C24 H32 N4 O2 S2 CSCC[C@@H]....
42 4XNC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
43 4ZSC - EA4 C12 H17 N3 O3 CCOC(=O)CN....
44 6RA1 - JWB C11 H13 N O4 C1C[C@H]2C....
45 6R8W Kd = 1.2 uM JVH C23 H27 N3 O5 c1cc2c(cc1....
46 6R8O Kd = 0.67 uM JV2 C26 H32 N4 O4 S CSc1ccccc1....
47 6R8L Kd = 0.006 uM JUZ C26 H32 N4 O4 S CSc1ccccc1....
48 6R9U Kd = 7.5 mM JVQ C13 H16 N2 O3 CCN1Cc2cc3....
49 6R9S Kd = 7.1 mM JVN C11 H12 F N O2 c1cc2c(cc1....
50 5YBA Kd = 16.81 uM GLU TYR GLY PRO LYS TRP ASN LYS n/a n/a
51 1VDN - ACE ALA ALA PRO ALA MCM n/a n/a
52 1E8K - ALA PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 93Q; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 93Q 1 1
2 76X 0.518519 0.84
3 93E 0.466667 0.807692
4 R8A 0.411765 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: 93Q; Similar ligands found: 666
No: Ligand Similarity coefficient
1 3ZQ 1.0271
2 40O 1.0000
3 92Z 1.0000
4 8LG 1.0000
5 OXE 1.0000
6 L89 1.0000
7 FP2 1.0000
8 CAQ 1.0000
9 2AF 1.0000
10 1AN 1.0000
11 JZ0 1.0000
12 2CH 0.9996
13 938 0.9989
14 BEW 0.9985
15 HTS 0.9977
16 6X8 0.9921
17 YAN 0.9894
18 KSW 0.9816
19 MMZ 0.9806
20 MB3 0.9796
21 XYP 0.9754
22 DTI 0.9751
23 HSL 0.9746
24 285 0.9707
25 0TR 0.9704
26 IPH 0.9698
27 URF 0.9678
28 4XX 0.9675
29 JZ3 0.9672
30 HVK 0.9672
31 DMI 0.9669
32 TDR 0.9662
33 1PT 0.9661
34 5UC 0.9658
35 7CZ 0.9656
36 A2Q 0.9656
37 MBN 0.9650
38 H3M 0.9650
39 CYT 0.9648
40 4ZE 0.9646
41 MWM 0.9645
42 4AX 0.9640
43 WBU 0.9639
44 V1L 0.9639
45 2AP 0.9637
46 CRS 0.9636
47 CXL 0.9634
48 RSF 0.9633
49 ICP 0.9631
50 3MC 0.9631
51 GXE 0.9631
52 URA 0.9630
53 HRZ 0.9624
54 LGA 0.9623
55 26D 0.9621
56 280 0.9620
57 MCT 0.9618
58 RCO 0.9617
59 DUC 0.9615
60 LG3 0.9613
61 9PO 0.9613
62 FFP 0.9612
63 A1U 0.9607
64 WOT 0.9603
65 XYD 0.9598
66 TH0 0.9598
67 4JO 0.9598
68 4AP 0.9597
69 PYD 0.9596
70 FLM 0.9595
71 0R0 0.9593
72 3AP 0.9590
73 XBZ 0.9590
74 1MC 0.9588
75 NK 0.9588
76 43M 0.9583
77 LXC 0.9582
78 8GF 0.9579
79 LG5 0.9575
80 3CH 0.9575
81 284 0.9574
82 TMZ 0.9568
83 TM7 0.9566
84 BVF 0.9566
85 JZ1 0.9564
86 QOS 0.9558
87 3FA 0.9552
88 2AC 0.9551
89 4HO 0.9544
90 5MH 0.9542
91 TMT 0.9539
92 MWJ 0.9538
93 BR9 0.9537
94 1XX 0.9533
95 MBD 0.9532
96 PYG 0.9530
97 2MP 0.9526
98 MZG 0.9526
99 2YU 0.9524
100 CYH 0.9524
101 HPY 0.9521
102 TTO 0.9521
103 2C9 0.9521
104 27Y 0.9521
105 CIG 0.9521
106 286 0.9520
107 HT4 0.9519
108 NEQ 0.9518
109 2IM 0.9515
110 34A 0.9514
111 4CL 0.9514
112 XYS 0.9513
113 GMN 0.9511
114 8CL 0.9508
115 HGQ 0.9506
116 JZ2 0.9501
117 J1Z 0.9501
118 5JC 0.9499
119 HHN 0.9499
120 AHR 0.9499
121 3MH 0.9490
122 4JJ 0.9488
123 M3T 0.9483
124 HEW 0.9475
125 DGY 0.9475
126 DXX 0.9472
127 7EX 0.9471
128 3CE 0.9470
129 DUB 0.9470
130 2MY 0.9468
131 DEN 0.9468
132 PIH 0.9465
133 0CT 0.9463
134 6MH 0.9463
135 Y8I 0.9460
136 HGW 0.9459
137 B3R 0.9457
138 PCR 0.9456
139 IDH 0.9454
140 2CM 0.9450
141 2MH 0.9445
142 4H2 0.9442
143 TM4 0.9440
144 64K 0.9439
145 IUR 0.9435
146 4JP 0.9435
147 BZF 0.9425
148 GVH 0.9423
149 HHQ 0.9422
150 FPY 0.9421
151 BZI 0.9411
152 FPN 0.9411
153 HAI 0.9410
154 L60 0.9410
155 HQE 0.9407
156 IND 0.9406
157 ICC 0.9401
158 0MK 0.9400
159 PLQ 0.9400
160 93B 0.9400
161 TLD 0.9400
162 ECE 0.9399
163 0R1 0.9393
164 CEJ 0.9390
165 DA1 0.9386
166 25R 0.9384
167 HIU 0.9384
168 4CH 0.9374
169 LG4 0.9372
170 LZ1 0.9369
171 MPI 0.9368
172 2KT 0.9368
173 YTB 0.9367
174 YHO 0.9363
175 RIP 0.9358
176 HYN 0.9357
177 IDM 0.9357
178 ARA 0.9351
179 CYS 0.9350
180 24T 0.9348
181 PXY 0.9347
182 BML 0.9344
183 DSN 0.9344
184 ADE 0.9340
185 1WG 0.9327
186 OXL 0.9325
187 HPA 0.9320
188 4DX 0.9317
189 2OP 0.9316
190 FUC 0.9314
191 OXM 0.9311
192 4HS 0.9308
193 3Z7 0.9308
194 150 0.9304
195 FOA 0.9301
196 F05 0.9301
197 45C 0.9295
198 LAC 0.9294
199 7HP 0.9293
200 PM6 0.9293
201 KG7 0.9287
202 4JN 0.9286
203 282 0.9285
204 MAK 0.9284
205 ARB 0.9283
206 9EW 0.9282
207 9DA 0.9280
208 JZ9 0.9280
209 9HX 0.9278
210 DMG 0.9278
211 6MP 0.9277
212 7WA 0.9276
213 ZZT 0.9274
214 278 0.9270
215 OXD 0.9266
216 2CQ 0.9265
217 XIX 0.9264
218 PYR 0.9262
219 275 0.9261
220 NIS 0.9260
221 BTE 0.9259
222 HGY 0.9256
223 MLT 0.9254
224 ES4 0.9253
225 SYN 0.9253
226 25W 0.9248
227 SAL 0.9241
228 10L 0.9240
229 SVN 0.9239
230 DAL 0.9237
231 FUL 0.9236
232 6HQ 0.9236
233 24B 0.9235
234 G6D 0.9234
235 PYC 0.9232
236 SER 0.9230
237 23A 0.9230
238 IOL 0.9229
239 KIV 0.9227
240 BP1 0.9225
241 F4Z 0.9225
242 PYF 0.9218
243 HMH 0.9215
244 6UA 0.9215
245 WDL 0.9214
246 AX2 0.9212
247 94N 0.9209
248 GBD 0.9208
249 B20 0.9207
250 FYU 0.9207
251 2DR 0.9207
252 MLA 0.9204
253 265 0.9204
254 HBX 0.9203
255 BNZ 0.9203
256 0PY 0.9201
257 ALA 0.9199
258 SWD 0.9197
259 0RW 0.9195
260 OXQ 0.9195
261 13X 0.9195
262 FPI 0.9194
263 PRO 0.9193
264 TC7 0.9190
265 1MR 0.9190
266 HLR 0.9189
267 SEJ 0.9184
268 25T 0.9182
269 3AY 0.9178
270 6M4 0.9178
271 ABN 0.9177
272 DFU 0.9176
273 4ZC 0.9175
274 NBE 0.9173
275 HY3 0.9172
276 3MT 0.9170
277 AMT 0.9168
278 1AC 0.9168
279 260 0.9165
280 PHZ 0.9164
281 BAQ 0.9156
282 BR8 0.9155
283 ABE 0.9150
284 PY7 0.9150
285 3XX 0.9148
286 APY 0.9147
287 2ZX 0.9143
288 4JU 0.9143
289 DAB 0.9140
290 JBE 0.9136
291 XXR 0.9136
292 P3K 0.9135
293 MLI 0.9132
294 1DH 0.9132
295 5ZE 0.9127
296 DFB 0.9127
297 RIB 0.9126
298 PYJ 0.9122
299 5AN 0.9121
300 P1R 0.9121
301 TZC 0.9118
302 C5J 0.9117
303 NBZ 0.9112
304 47J 0.9111
305 PYM 0.9109
306 BE2 0.9108
307 ALO 0.9108
308 GOL 0.9106
309 NVI 0.9105
310 NAK 0.9104
311 2PC 0.9103
312 6AI 0.9101
313 3U4 0.9101
314 GLC 0.9100
315 3PY 0.9099
316 GAG 0.9097
317 JAB 0.9097
318 NSP 0.9096
319 BEZ 0.9092
320 VNJ 0.9092
321 MZ0 0.9091
322 T6C 0.9090
323 35C 0.9090
324 5AC 0.9089
325 VAL 0.9087
326 MLM 0.9087
327 GOO 0.9084
328 E60 0.9083
329 2MZ 0.9083
330 HMU 0.9083
331 4MZ 0.9082
332 BUO 0.9081
333 JIF 0.9080
334 NPY 0.9079
335 6M9 0.9079
336 1DW 0.9078
337 B24 0.9078
338 QUZ 0.9076
339 8H8 0.9072
340 JBN 0.9071
341 FCA 0.9070
342 IFM 0.9070
343 AZF 0.9070
344 5Y9 0.9069
345 L3Q 0.9067
346 1WD 0.9067
347 4SV 0.9063
348 2RA 0.9063
349 3TR 0.9063
350 YCP 0.9060
351 BZX 0.9060
352 9CL 0.9059
353 HOW 0.9059
354 FUF 0.9056
355 GBL 0.9055
356 ABA 0.9055
357 TP5 0.9051
358 1AB 0.9050
359 JFD 0.9048
360 IP0 0.9044
361 MZY 0.9042
362 OXZ 0.9040
363 BEN 0.9037
364 FPK 0.9035
365 NCA 0.9034
366 3SK 0.9030
367 ATQ 0.9030
368 DCY 0.9028
369 1MZ 0.9027
370 1CB 0.9025
371 DBB 0.9025
372 A3B 0.9025
373 ERH 0.9024
374 7MH 0.9023
375 23W 0.9022
376 THR 0.9020
377 M2H 0.9020
378 2AI 0.9019
379 ES6 0.9018
380 IT2 0.9017
381 TH7 0.9017
382 MR3 0.9017
383 273 0.9015
384 F5B 0.9014
385 ES9 0.9013
386 HUI 0.9009
387 6PC 0.9008
388 5MB 0.9004
389 R2B 0.9004
390 5KX 0.9002
391 JKE 0.9000
392 4XR 0.8999
393 EXO 0.8992
394 JZ6 0.8990
395 1XN 0.8990
396 ALQ 0.8985
397 SMV 0.8984
398 NOJ 0.8982
399 7WV 0.8981
400 TFB 0.8980
401 TAR 0.8977
402 DTL 0.8973
403 ES3 0.8973
404 RP7 0.8971
405 AMC 0.8970
406 BAM 0.8970
407 RAM 0.8968
408 PAF 0.8965
409 11S 0.8962
410 2CK 0.8960
411 HBA 0.8958
412 BYZ 0.8957
413 5MI 0.8955
414 H4N 0.8954
415 1DU 0.8953
416 12M 0.8951
417 PYZ 0.8951
418 KYD 0.8950
419 60P 0.8950
420 ADZ 0.8947
421 14O 0.8947
422 261 0.8945
423 9TY 0.8943
424 F60 0.8943
425 F81 0.8943
426 9DG 0.8941
427 FK1 0.8940
428 ASP 0.8940
429 ADK 0.8939
430 EDG 0.8938
431 5H1 0.8937
432 8NY 0.8937
433 G3F 0.8937
434 2K4 0.8935
435 LER 0.8927
436 XAN 0.8924
437 TF4 0.8923
438 5MP 0.8921
439 DCD 0.8920
440 CIZ 0.8920
441 H76 0.8920
442 PZA 0.8920
443 IFL 0.8917
444 GUN 0.8916
445 2XX 0.8911
446 3ZS 0.8909
447 DPR 0.8908
448 6AP 0.8907
449 FLA 0.8906
450 BVC 0.8906
451 EQT 0.8902
452 A2F 0.8901
453 03W 0.8900
454 5Q0 0.8898
455 VGL 0.8898
456 Z6J 0.8897
457 C2A 0.8892
458 FUB 0.8892
459 AZA 0.8888
460 270 0.8888
461 C21 0.8886
462 6F0 0.8886
463 GRE 0.8886
464 IGA 0.8885
465 FP1 0.8883
466 YH7 0.8882
467 BVG 0.8882
468 NTN 0.8880
469 290 0.8878
470 HQY 0.8878
471 BOA 0.8877
472 7B4 0.8875
473 QSC 0.8875
474 P2D 0.8874
475 192 0.8874
476 LMR 0.8873
477 NIO 0.8872
478 O7U 0.8870
479 1LN 0.8870
480 MSN 0.8869
481 M58 0.8869
482 G2F 0.8868
483 82I 0.8867
484 2ZV 0.8867
485 5SG 0.8865
486 1NP 0.8861
487 O72 0.8861
488 TBP 0.8860
489 CFP 0.8860
490 HLT 0.8859
491 24W 0.8859
492 CRN 0.8859
493 1XM 0.8858
494 RM4 0.8857
495 BGC 0.8856
496 TCZ 0.8855
497 ES1 0.8854
498 SS1 0.8854
499 PRS 0.8853
500 4YS 0.8852
501 1LQ 0.8851
502 7HQ 0.8847
503 JPZ 0.8846
504 N5J 0.8846
505 5IQ 0.8846
506 I3A 0.8846
507 MZW 0.8843
508 3MA 0.8843
509 2LP 0.8842
510 KPL 0.8840
511 MRY 0.8840
512 LDU 0.8838
513 1LM 0.8837
514 1SQ 0.8836
515 OHG 0.8836
516 B53 0.8834
517 M1A 0.8831
518 JZ4 0.8831
519 JBH 0.8830
520 8S0 0.8830
521 4PW 0.8828
522 7W4 0.8827
523 AX7 0.8817
524 AKB 0.8817
525 HH8 0.8816
526 JAE 0.8816
527 4XH 0.8816
528 6M1 0.8815
529 141 0.8813
530 AZG 0.8813
531 6GU 0.8813
532 P92 0.8813
533 HH5 0.8806
534 DX4 0.8803
535 H8N 0.8803
536 UNU 0.8802
537 4VP 0.8801
538 PHB 0.8801
539 ISN 0.8800
540 51F 0.8799
541 4JL 0.8795
542 RNS 0.8795
543 9X7 0.8795
544 KKN 0.8794
545 FCB 0.8794
546 PBC 0.8794
547 HVQ 0.8790
548 3DO 0.8789
549 HBS 0.8788
550 BCP 0.8785
551 GIO 0.8785
552 BAE 0.8784
553 KOJ 0.8783
554 TLA 0.8781
555 FBA 0.8780
556 PRY 0.8780
557 XQG 0.8779
558 BHO 0.8778
559 6SP 0.8777
560 ASO 0.8770
561 ABV 0.8770
562 AAE 0.8769
563 HX3 0.8769
564 0CU 0.8769
565 ITN 0.8765
566 5RG 0.8764
567 XM0 0.8762
568 5NU 0.8761
569 42A 0.8761
570 PAV 0.8760
571 2MI 0.8757
572 MFB 0.8757
573 HIO 0.8757
574 8GC 0.8755
575 BSX 0.8755
576 C2N 0.8753
577 AGK 0.8750
578 LCN 0.8749
579 LZM 0.8747
580 6CS 0.8744
581 67N 0.8742
582 NOY 0.8740
583 ES7 0.8739
584 3RK 0.8736
585 ARW 0.8734
586 PCA 0.8733
587 TAY 0.8733
588 BP9 0.8729
589 5WV 0.8728
590 GIF 0.8723
591 HSE 0.8720
592 DTU 0.8720
593 MNM 0.8719
594 URQ 0.8719
595 BAL 0.8718
596 3OH 0.8716
597 JZ5 0.8714
598 Q88 0.8711
599 MAN 0.8710
600 5M0 0.8707
601 HHA 0.8707
602 GTQ 0.8705
603 54G 0.8704
604 5CU 0.8703
605 3M0 0.8701
606 S76 0.8700
607 AUD 0.8697
608 M1E 0.8696
609 XQ0 0.8695
610 AC0 0.8693
611 DMJ 0.8691
612 3HA 0.8688
613 HCS 0.8685
614 JBK 0.8685
615 OAA 0.8685
616 1P7 0.8681
617 32O 0.8680
618 CWM 0.8680
619 RUU 0.8680
620 5MK 0.8676
621 ASN 0.8675
622 NCM 0.8675
623 3F0 0.8674
624 ZZ3 0.8671
625 4JM 0.8671
626 2EZ 0.8671
627 SX1 0.8668
628 DBH 0.8668
629 ES0 0.8667
630 FA0 0.8664
631 5B1 0.8661
632 SS2 0.8656
633 9TZ 0.8655
634 6KX 0.8655
635 CP 0.8655
636 RM1 0.8653
637 4M0 0.8637
638 TZE 0.8630
639 URP 0.8630
640 IPB 0.8626
641 14J 0.8624
642 GYE 0.8620
643 3NT 0.8615
644 7VJ 0.8614
645 DMD 0.8613
646 DOB 0.8613
647 BHA 0.8607
648 PRI 0.8605
649 HFB 0.8602
650 C2B 0.8602
651 PBE 0.8601
652 3DM 0.8598
653 MRZ 0.8595
654 3ID 0.8574
655 9MG 0.8572
656 5HN 0.8567
657 3WA 0.8563
658 39A 0.8556
659 T2C 0.8551
660 LRH 0.8550
661 3AB 0.8550
662 1DQ 0.8542
663 BCF 0.8538
664 3HB 0.8538
665 GAB 0.8537
666 R8S 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YND; Ligand: SFA; 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: 1ynd.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YND; Ligand: SFA; 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: 1ynd.bio2) has 51 residues
No: Leader PDB Ligand Sequence Similarity
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