Receptor
PDB id Resolution Class Description Source Keywords
5LUD 1.25 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 2,3-DIAMINOPYRIDI HOMO SAPIENS ISOMERASE LIGAND COMPLEX BETA BARREL PROLYL CIS/TRANS ISO
Ref.: THERMO-KINETIC ANALYSIS SPACE EXPANSION FOR CYCLOPHILIN-LIGAND INTERACTIONS - IDENTIFICATION OF NONPEPTIDE INHIBITOR USING BIACORETM T200. FEBS OPEN BIO V. 7 533 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
76X A:201;
 Valid;
 none;
 submit data
109.129 C5 H7 N3 c1cc(...
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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: 76X; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 76X 1 1
2 93E 0.518519 0.75
3 L97 0.518519 0.689655
4 93Q 0.518519 0.84
5 R8A 0.451613 0.647059
Similar Ligands (3D)
Ligand no: 1; Ligand: 76X; Similar ligands found: 652
No: Ligand Similarity coefficient
1 CAQ 1.0000
2 40O 1.0000
3 3ZQ 1.0000
4 OXE 1.0000
5 1AN 1.0000
6 8LG 1.0000
7 2AF 1.0000
8 L89 1.0000
9 92Z 1.0000
10 FP2 1.0000
11 JZ0 1.0000
12 938 0.9962
13 2CH 0.9956
14 BEW 0.9953
15 HTS 0.9944
16 6X8 0.9867
17 YAN 0.9864
18 MB3 0.9822
19 KSW 0.9815
20 MMZ 0.9787
21 DTI 0.9770
22 HSL 0.9758
23 DMI 0.9741
24 XYP 0.9739
25 285 0.9737
26 0TR 0.9703
27 URF 0.9680
28 WBU 0.9663
29 TDR 0.9663
30 4AX 0.9660
31 5UC 0.9656
32 4ZE 0.9650
33 MWM 0.9647
34 4XX 0.9646
35 CYT 0.9645
36 MCT 0.9638
37 7CZ 0.9637
38 URA 0.9636
39 H3M 0.9634
40 LXC 0.9631
41 1PT 0.9630
42 RSF 0.9626
43 CRS 0.9621
44 RCO 0.9620
45 26D 0.9619
46 LG3 0.9616
47 DUC 0.9615
48 A1U 0.9614
49 284 0.9611
50 280 0.9609
51 PYD 0.9608
52 ICP 0.9608
53 JZ3 0.9604
54 XYD 0.9598
55 1MC 0.9593
56 XBZ 0.9592
57 TMZ 0.9590
58 NK 0.9583
59 IPH 0.9582
60 TH0 0.9578
61 3CH 0.9577
62 0R0 0.9575
63 3MC 0.9574
64 QOS 0.9573
65 3FA 0.9564
66 CXL 0.9562
67 HVK 0.9560
68 TM7 0.9560
69 LG5 0.9560
70 8GF 0.9556
71 4JO 0.9552
72 BVF 0.9552
73 4HO 0.9549
74 NEQ 0.9549
75 2AC 0.9547
76 43M 0.9544
77 MWJ 0.9541
78 FFP 0.9540
79 TMT 0.9539
80 5MH 0.9539
81 2AP 0.9538
82 9PO 0.9536
83 DXX 0.9532
84 PYG 0.9532
85 CYH 0.9532
86 MBD 0.9529
87 BR9 0.9529
88 27Y 0.9529
89 2MP 0.9529
90 34A 0.9527
91 3AP 0.9525
92 MBN 0.9524
93 FLM 0.9520
94 4JJ 0.9520
95 2YU 0.9515
96 MZG 0.9513
97 2C9 0.9512
98 GMN 0.9511
99 4CL 0.9511
100 XYS 0.9511
101 1XX 0.9510
102 LGA 0.9510
103 JZ2 0.9508
104 HT4 0.9506
105 0CT 0.9504
106 286 0.9504
107 JZ1 0.9492
108 AHR 0.9492
109 CIG 0.9486
110 HGQ 0.9486
111 5JC 0.9484
112 7EX 0.9482
113 J1Z 0.9481
114 HRZ 0.9473
115 2MY 0.9470
116 4AP 0.9470
117 HPY 0.9468
118 2CM 0.9460
119 2IM 0.9457
120 6MH 0.9453
121 GVH 0.9451
122 HEW 0.9450
123 3MH 0.9450
124 8CL 0.9446
125 GXE 0.9435
126 DUB 0.9430
127 DEN 0.9430
128 Y8I 0.9429
129 FPY 0.9428
130 IUR 0.9427
131 3CE 0.9427
132 WOT 0.9425
133 BZF 0.9425
134 M3T 0.9422
135 TM4 0.9421
136 BZI 0.9420
137 HAI 0.9418
138 64K 0.9416
139 HYN 0.9416
140 A2Q 0.9415
141 0R1 0.9414
142 IDH 0.9412
143 V1L 0.9410
144 B3R 0.9404
145 IND 0.9399
146 DGY 0.9396
147 4DX 0.9393
148 4H2 0.9388
149 HHQ 0.9384
150 TLD 0.9382
151 ADE 0.9378
152 RIP 0.9375
153 LZ1 0.9373
154 4JP 0.9373
155 MPI 0.9372
156 HIU 0.9371
157 YHO 0.9370
158 CEJ 0.9366
159 ECE 0.9366
160 0MK 0.9365
161 HPA 0.9363
162 ARA 0.9361
163 YTB 0.9356
164 2KT 0.9349
165 9HX 0.9342
166 L60 0.9340
167 IDM 0.9339
168 7HP 0.9339
169 275 0.9338
170 WDL 0.9337
171 9DA 0.9335
172 6MP 0.9333
173 24T 0.9332
174 PCR 0.9332
175 PLQ 0.9325
176 DA1 0.9324
177 FUC 0.9318
178 7WA 0.9314
179 KG7 0.9313
180 F05 0.9312
181 OXM 0.9311
182 HQE 0.9307
183 DSN 0.9304
184 1WG 0.9302
185 ES4 0.9300
186 150 0.9294
187 PM6 0.9293
188 MAK 0.9292
189 BTE 0.9292
190 2OP 0.9291
191 OXL 0.9289
192 HHN 0.9286
193 10L 0.9283
194 6UA 0.9283
195 PIH 0.9282
196 FOA 0.9280
197 E60 0.9279
198 45C 0.9278
199 JZ9 0.9270
200 278 0.9267
201 XIX 0.9266
202 HGY 0.9263
203 AX2 0.9259
204 NIS 0.9258
205 ICC 0.9257
206 9EW 0.9255
207 ARB 0.9254
208 DAL 0.9251
209 6HQ 0.9249
210 2CQ 0.9246
211 3Z7 0.9245
212 SVN 0.9245
213 PYR 0.9244
214 FPN 0.9240
215 LAC 0.9240
216 HLR 0.9239
217 4CH 0.9233
218 BP1 0.9230
219 MLT 0.9227
220 DMG 0.9227
221 OXD 0.9224
222 GBD 0.9223
223 0PY 0.9223
224 ALA 0.9221
225 BNZ 0.9220
226 CYS 0.9219
227 3AY 0.9219
228 13X 0.9217
229 KIV 0.9217
230 25W 0.9217
231 TTO 0.9215
232 F4Z 0.9215
233 B20 0.9215
234 PHZ 0.9213
235 24B 0.9213
236 PYC 0.9212
237 25R 0.9210
238 94N 0.9207
239 5ZE 0.9206
240 DAB 0.9205
241 G6D 0.9202
242 OXQ 0.9194
243 1AC 0.9194
244 LG4 0.9190
245 TC7 0.9190
246 SER 0.9187
247 BR8 0.9187
248 SWD 0.9185
249 SEJ 0.9185
250 2ZX 0.9184
251 FUL 0.9181
252 MLA 0.9179
253 SYN 0.9179
254 L3Q 0.9178
255 93B 0.9173
256 265 0.9173
257 282 0.9172
258 PXY 0.9170
259 DFU 0.9170
260 ZZT 0.9168
261 2DR 0.9166
262 SAL 0.9162
263 FYU 0.9161
264 PRO 0.9159
265 HY3 0.9157
266 260 0.9156
267 23A 0.9154
268 HGW 0.9150
269 4JU 0.9148
270 4JN 0.9144
271 ABN 0.9143
272 P1R 0.9141
273 ABE 0.9140
274 0RW 0.9137
275 HMH 0.9135
276 25T 0.9132
277 6M4 0.9131
278 MZ0 0.9130
279 BML 0.9130
280 HBX 0.9127
281 ALO 0.9126
282 JBE 0.9125
283 XXR 0.9125
284 MLI 0.9123
285 4HS 0.9120
286 4ZC 0.9115
287 PYM 0.9114
288 2RA 0.9114
289 GAG 0.9113
290 1DH 0.9104
291 GOL 0.9104
292 47J 0.9103
293 AMT 0.9100
294 3PY 0.9096
295 3XX 0.9096
296 BAQ 0.9092
297 35C 0.9092
298 C5J 0.9090
299 JIF 0.9090
300 RP7 0.9090
301 8H8 0.9086
302 5AC 0.9084
303 DBB 0.9083
304 A3B 0.9083
305 NAK 0.9082
306 1MR 0.9080
307 YCP 0.9080
308 NBZ 0.9079
309 ERH 0.9076
310 2MH 0.9074
311 2PC 0.9073
312 3MT 0.9071
313 NSP 0.9070
314 5Y9 0.9069
315 1DW 0.9062
316 F5B 0.9061
317 6AI 0.9059
318 BUO 0.9058
319 BEZ 0.9057
320 NPY 0.9054
321 PYJ 0.9054
322 3U4 0.9053
323 M2H 0.9052
324 BE2 0.9052
325 JAB 0.9051
326 FCA 0.9050
327 IOL 0.9050
328 APY 0.9050
329 QUZ 0.9050
330 HMU 0.9048
331 6M9 0.9041
332 GBL 0.9041
333 3SK 0.9040
334 FUF 0.9038
335 JBN 0.9036
336 TP5 0.9034
337 T6C 0.9033
338 MLM 0.9030
339 BZX 0.9030
340 TZC 0.9030
341 1WD 0.9029
342 23W 0.9029
343 VAL 0.9029
344 BEN 0.9028
345 4SV 0.9027
346 3TR 0.9025
347 HUI 0.9024
348 1XN 0.9023
349 273 0.9022
350 VNJ 0.9020
351 1AB 0.9020
352 FPI 0.9018
353 ALQ 0.9018
354 GOO 0.9016
355 DTL 0.9012
356 NCA 0.9012
357 DFB 0.9010
358 PY7 0.9010
359 FPK 0.9009
360 1CB 0.9006
361 6PC 0.9001
362 AZF 0.9000
363 PYF 0.8999
364 ABA 0.8996
365 ES6 0.8995
366 9CL 0.8994
367 12M 0.8993
368 TH7 0.8989
369 BAM 0.8985
370 7MH 0.8984
371 LER 0.8984
372 IFM 0.8981
373 RAM 0.8980
374 NVI 0.8977
375 DCY 0.8971
376 P3K 0.8970
377 JKE 0.8967
378 2AI 0.8967
379 GLC 0.8966
380 CIZ 0.8964
381 ADZ 0.8961
382 HOW 0.8960
383 EXO 0.8960
384 IP0 0.8958
385 RIB 0.8957
386 4MZ 0.8956
387 ES9 0.8954
388 IT2 0.8952
389 TF4 0.8950
390 ADK 0.8949
391 5MB 0.8947
392 4XR 0.8944
393 FLA 0.8944
394 1MZ 0.8940
395 PAF 0.8940
396 G3F 0.8939
397 TAR 0.8939
398 SMV 0.8938
399 3ZS 0.8938
400 9DG 0.8934
401 MR3 0.8934
402 5KX 0.8932
403 7WV 0.8932
404 5H1 0.8931
405 NBE 0.8930
406 KYD 0.8930
407 ASP 0.8930
408 2CK 0.8930
409 5MP 0.8929
410 2MZ 0.8929
411 2XX 0.8928
412 1DU 0.8928
413 XAN 0.8926
414 AMC 0.8923
415 AZA 0.8922
416 F81 0.8921
417 3MA 0.8920
418 GUN 0.8918
419 DCD 0.8917
420 6AP 0.8912
421 5Q0 0.8911
422 A2F 0.8910
423 ATQ 0.8910
424 FK1 0.8905
425 5MI 0.8904
426 2K4 0.8902
427 B24 0.8900
428 PZA 0.8899
429 IGA 0.8899
430 290 0.8895
431 VGL 0.8894
432 H4N 0.8894
433 HQY 0.8892
434 TBP 0.8892
435 7B4 0.8891
436 JZ6 0.8890
437 THR 0.8890
438 EQT 0.8890
439 R2B 0.8890
440 F60 0.8889
441 O72 0.8889
442 1NP 0.8888
443 BOA 0.8886
444 11S 0.8885
445 OXZ 0.8885
446 NIO 0.8885
447 261 0.8884
448 14O 0.8882
449 5SG 0.8881
450 YH7 0.8879
451 5IQ 0.8878
452 Z6J 0.8877
453 60P 0.8876
454 8NY 0.8875
455 MRY 0.8875
456 1XM 0.8874
457 JFD 0.8872
458 O7U 0.8870
459 CFP 0.8869
460 TCZ 0.8868
461 6GU 0.8866
462 4YS 0.8864
463 192 0.8864
464 BVC 0.8864
465 ES1 0.8862
466 9TY 0.8862
467 N5J 0.8861
468 H76 0.8859
469 270 0.8859
470 LMR 0.8858
471 TFB 0.8856
472 JPZ 0.8853
473 1LM 0.8853
474 CRN 0.8853
475 AZG 0.8850
476 1LQ 0.8850
477 03W 0.8850
478 KPL 0.8850
479 1SQ 0.8848
480 C2A 0.8846
481 DX4 0.8845
482 QSC 0.8841
483 PRS 0.8839
484 24W 0.8839
485 7HQ 0.8839
486 4PW 0.8838
487 AX7 0.8836
488 MSN 0.8835
489 JBH 0.8834
490 NTN 0.8831
491 FUB 0.8831
492 2ZV 0.8831
493 HLT 0.8829
494 141 0.8825
495 1LN 0.8823
496 7W4 0.8820
497 AKB 0.8815
498 GIO 0.8812
499 HH8 0.8811
500 NOJ 0.8811
501 C21 0.8808
502 M1A 0.8802
503 UNU 0.8802
504 BAE 0.8799
505 MZY 0.8798
506 JZ4 0.8798
507 6SP 0.8798
508 HBA 0.8796
509 4XH 0.8796
510 82I 0.8794
511 BGC 0.8792
512 KOJ 0.8790
513 M58 0.8790
514 BCP 0.8788
515 KKN 0.8786
516 RM4 0.8786
517 HH5 0.8785
518 ISN 0.8785
519 GRE 0.8785
520 B53 0.8785
521 P2D 0.8784
522 G2F 0.8784
523 JAE 0.8784
524 3DO 0.8783
525 ITN 0.8782
526 BYZ 0.8780
527 0CU 0.8779
528 HBS 0.8778
529 2MI 0.8777
530 2LP 0.8775
531 PBC 0.8775
532 I3A 0.8771
533 ES3 0.8770
534 DPR 0.8768
535 FP1 0.8767
536 IFL 0.8767
537 MZW 0.8763
538 PAV 0.8760
539 6F0 0.8760
540 TLA 0.8760
541 HIO 0.8755
542 RNS 0.8754
543 FCB 0.8751
544 TAY 0.8751
545 BHO 0.8747
546 XM0 0.8744
547 AAE 0.8742
548 ES7 0.8741
549 EDG 0.8740
550 LDU 0.8738
551 BSX 0.8736
552 MFB 0.8735
553 URQ 0.8734
554 OAA 0.8733
555 PYZ 0.8731
556 PCA 0.8731
557 6CS 0.8731
558 BVG 0.8730
559 3RK 0.8729
560 P92 0.8728
561 S76 0.8726
562 ES0 0.8725
563 3OH 0.8723
564 CWM 0.8721
565 HVQ 0.8720
566 NOY 0.8719
567 XQG 0.8718
568 2A7 0.8718
569 Q88 0.8717
570 5RG 0.8713
571 OHG 0.8711
572 5WV 0.8709
573 5NU 0.8705
574 ASN 0.8704
575 AUD 0.8701
576 PRY 0.8700
577 3M0 0.8700
578 32O 0.8695
579 67N 0.8691
580 AGK 0.8684
581 ABV 0.8684
582 AC0 0.8682
583 51F 0.8680
584 ASO 0.8680
585 BDR 0.8680
586 5M0 0.8679
587 BAL 0.8678
588 XQ0 0.8676
589 HSE 0.8675
590 5AN 0.8674
591 42A 0.8671
592 MNM 0.8669
593 3F0 0.8668
594 R8S 0.8668
595 9TZ 0.8667
596 RM1 0.8665
597 9X7 0.8660
598 ZZ3 0.8659
599 CP 0.8655
600 LZM 0.8654
601 GTQ 0.8650
602 LCN 0.8650
603 GIF 0.8649
604 PBE 0.8648
605 5MK 0.8647
606 5B1 0.8647
607 1P7 0.8647
608 GXV 0.8647
609 URP 0.8642
610 6M1 0.8640
611 DBH 0.8640
612 6KX 0.8639
613 4VP 0.8637
614 54G 0.8635
615 BP9 0.8634
616 SX1 0.8631
617 3HA 0.8628
618 RUU 0.8620
619 HX3 0.8615
620 H8N 0.8612
621 PHB 0.8610
622 2EZ 0.8610
623 MAN 0.8610
624 3GR 0.8607
625 M1E 0.8601
626 9MG 0.8601
627 JBK 0.8601
628 HFB 0.8600
629 DMJ 0.8600
630 3NT 0.8598
631 DMD 0.8592
632 3DM 0.8591
633 3WA 0.8583
634 NCM 0.8580
635 5HN 0.8579
636 5CU 0.8579
637 4JL 0.8578
638 LRH 0.8570
639 ARW 0.8570
640 4JM 0.8564
641 T2C 0.8563
642 3ID 0.8560
643 TZE 0.8556
644 KJY 0.8555
645 4M0 0.8553
646 NMJ 0.8552
647 3HB 0.8551
648 39A 0.8545
649 FA0 0.8544
650 DOB 0.8540
651 3AB 0.8527
652 1DQ 0.8521
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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