Receptor
PDB id Resolution Class Description Source Keywords
5NOW 1.48 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH PYRIDINE-3,4-DIAM 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
L89 A:201;
 Valid;
 none;
 submit data
109.129 C5 H7 N3 c1cnc...
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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: L89; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 L89 1 1
2 4SV 0.424242 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: L89; Similar ligands found: 673
No: Ligand Similarity coefficient
1 3ZQ 1.0253
2 40O 1.0000
3 1AN 1.0000
4 OXE 1.0000
5 8LG 1.0000
6 76X 1.0000
7 FP2 1.0000
8 92Z 1.0000
9 93Q 1.0000
10 JZ0 1.0000
11 2AF 1.0000
12 CAQ 1.0000
13 938 0.9991
14 BEW 0.9979
15 2CH 0.9966
16 HTS 0.9944
17 YAN 0.9904
18 6X8 0.9861
19 MMZ 0.9821
20 DTI 0.9815
21 MB3 0.9805
22 KSW 0.9788
23 DMI 0.9760
24 HSL 0.9743
25 285 0.9742
26 ICP 0.9721
27 PYD 0.9721
28 3MC 0.9717
29 0TR 0.9712
30 WBU 0.9707
31 URF 0.9701
32 XYP 0.9697
33 LXC 0.9693
34 1MC 0.9692
35 5UC 0.9688
36 TDR 0.9682
37 4ZE 0.9669
38 MWM 0.9669
39 7CZ 0.9661
40 H3M 0.9661
41 RSF 0.9660
42 NK 0.9660
43 TMT 0.9659
44 2MP 0.9657
45 A1U 0.9656
46 QOS 0.9656
47 CYT 0.9656
48 MCT 0.9650
49 34A 0.9647
50 2AC 0.9646
51 XYD 0.9644
52 URA 0.9644
53 LG3 0.9639
54 1PT 0.9639
55 4AX 0.9630
56 26D 0.9628
57 RCO 0.9624
58 XBZ 0.9623
59 TM7 0.9622
60 TMZ 0.9619
61 CRS 0.9619
62 4XX 0.9619
63 JZ3 0.9617
64 8GF 0.9616
65 TH0 0.9613
66 4CL 0.9607
67 280 0.9606
68 4JO 0.9605
69 5MH 0.9601
70 MZG 0.9597
71 JZ2 0.9596
72 HVK 0.9596
73 DUC 0.9596
74 43M 0.9590
75 4JJ 0.9590
76 2AP 0.9587
77 3CH 0.9586
78 0CT 0.9584
79 27Y 0.9582
80 4HO 0.9582
81 R8A 0.9580
82 9PO 0.9578
83 IPH 0.9576
84 0R0 0.9575
85 284 0.9573
86 CXL 0.9572
87 BR9 0.9570
88 3FA 0.9568
89 HT4 0.9567
90 LG5 0.9567
91 FFP 0.9566
92 MWJ 0.9564
93 MBN 0.9563
94 BVF 0.9560
95 3AP 0.9560
96 DXX 0.9554
97 PYG 0.9546
98 GMN 0.9546
99 XYS 0.9541
100 GVH 0.9540
101 MBD 0.9539
102 5JC 0.9537
103 CYH 0.9537
104 NEQ 0.9535
105 286 0.9534
106 2YU 0.9533
107 HRZ 0.9531
108 WOT 0.9531
109 J1Z 0.9530
110 LGA 0.9528
111 FLM 0.9519
112 4AP 0.9515
113 0R1 0.9515
114 BZI 0.9512
115 IUR 0.9512
116 8CL 0.9510
117 1XX 0.9509
118 2C9 0.9507
119 CIG 0.9506
120 BZF 0.9505
121 2MY 0.9500
122 AHR 0.9499
123 FPY 0.9499
124 JZ1 0.9496
125 4JP 0.9494
126 3CE 0.9492
127 A2Q 0.9490
128 HGQ 0.9486
129 TLD 0.9485
130 IND 0.9482
131 7EX 0.9479
132 HYN 0.9479
133 MPI 0.9477
134 LZ1 0.9467
135 GXE 0.9465
136 DEN 0.9465
137 2CM 0.9460
138 HPY 0.9459
139 6MH 0.9458
140 2IM 0.9456
141 HEW 0.9454
142 Y8I 0.9442
143 3MH 0.9440
144 DUB 0.9440
145 B3R 0.9436
146 HIU 0.9434
147 M3T 0.9434
148 TM4 0.9423
149 HAI 0.9423
150 V1L 0.9420
151 IDH 0.9415
152 PLQ 0.9415
153 DGY 0.9414
154 F05 0.9412
155 4H2 0.9408
156 IDM 0.9406
157 275 0.9406
158 ADE 0.9406
159 25R 0.9402
160 HHQ 0.9401
161 HHN 0.9398
162 64K 0.9396
163 24T 0.9395
164 7HP 0.9395
165 PCR 0.9394
166 YHO 0.9393
167 0MK 0.9389
168 HQE 0.9389
169 CEJ 0.9389
170 DA1 0.9388
171 FPN 0.9380
172 HPA 0.9376
173 2KT 0.9375
174 ECE 0.9372
175 6MP 0.9372
176 LG4 0.9370
177 YTB 0.9367
178 9DA 0.9365
179 7WA 0.9364
180 ARA 0.9363
181 MAK 0.9362
182 9EW 0.9362
183 9HX 0.9359
184 DSN 0.9359
185 XIX 0.9356
186 SVN 0.9352
187 3Z7 0.9352
188 L60 0.9350
189 4DX 0.9349
190 RIP 0.9347
191 HLR 0.9340
192 1WG 0.9340
193 ES4 0.9339
194 E60 0.9336
195 4CH 0.9332
196 FOA 0.9332
197 OXL 0.9331
198 OXM 0.9329
199 10L 0.9326
200 150 0.9326
201 PM6 0.9325
202 FUC 0.9323
203 BTE 0.9322
204 TTO 0.9321
205 KG7 0.9320
206 JZ9 0.9310
207 2OP 0.9308
208 GBD 0.9304
209 DMG 0.9300
210 OXQ 0.9297
211 PXY 0.9297
212 45C 0.9294
213 OXD 0.9289
214 ICC 0.9287
215 WDL 0.9275
216 BP1 0.9274
217 PYC 0.9272
218 24B 0.9268
219 KIV 0.9268
220 AX2 0.9268
221 2CQ 0.9268
222 4JN 0.9268
223 4HS 0.9265
224 CYS 0.9264
225 LAC 0.9262
226 HGY 0.9262
227 NIS 0.9259
228 PYR 0.9258
229 0RW 0.9254
230 PIH 0.9254
231 F4Z 0.9252
232 278 0.9249
233 BML 0.9248
234 282 0.9246
235 6HQ 0.9246
236 DAL 0.9245
237 ARB 0.9241
238 MLT 0.9240
239 ALA 0.9238
240 6UA 0.9234
241 HGW 0.9233
242 MLI 0.9232
243 PRO 0.9229
244 23A 0.9226
245 25T 0.9223
246 B20 0.9220
247 BR8 0.9215
248 BNZ 0.9214
249 PHZ 0.9214
250 265 0.9214
251 SAL 0.9212
252 3AY 0.9209
253 FUL 0.9208
254 94N 0.9207
255 13X 0.9206
256 1AC 0.9206
257 GAG 0.9204
258 DAB 0.9202
259 MLA 0.9200
260 0PY 0.9200
261 SER 0.9199
262 ZZT 0.9198
263 5ZE 0.9197
264 TC7 0.9197
265 25W 0.9195
266 5AC 0.9195
267 2ZX 0.9194
268 2DR 0.9191
269 G6D 0.9191
270 2MH 0.9190
271 4JU 0.9189
272 FYU 0.9189
273 TZC 0.9189
274 JBN 0.9189
275 DFU 0.9185
276 JAB 0.9185
277 SWD 0.9185
278 260 0.9183
279 93B 0.9183
280 HY3 0.9179
281 P1R 0.9176
282 HMH 0.9173
283 HBX 0.9171
284 JBE 0.9170
285 SEJ 0.9164
286 M2H 0.9161
287 ABE 0.9160
288 PYF 0.9159
289 MZ0 0.9153
290 6M4 0.9151
291 3PY 0.9148
292 1DH 0.9146
293 PYM 0.9144
294 6AI 0.9140
295 C5J 0.9133
296 YCP 0.9132
297 5Y9 0.9126
298 ALO 0.9126
299 IOL 0.9124
300 47J 0.9123
301 NAK 0.9121
302 GOL 0.9120
303 4ZC 0.9120
304 2PC 0.9119
305 3TR 0.9117
306 2RA 0.9116
307 35C 0.9113
308 8H8 0.9113
309 MLM 0.9112
310 BAQ 0.9108
311 3MT 0.9106
312 3U4 0.9106
313 NSP 0.9106
314 AMT 0.9104
315 NBZ 0.9104
316 XXR 0.9104
317 BZX 0.9102
318 DBB 0.9100
319 A3B 0.9100
320 QUZ 0.9099
321 ERH 0.9097
322 BUO 0.9094
323 SYN 0.9092
324 NPY 0.9091
325 1MR 0.9090
326 FCA 0.9090
327 HMU 0.9089
328 BEZ 0.9089
329 1DW 0.9085
330 JIF 0.9080
331 T6C 0.9076
332 6M9 0.9075
333 VAL 0.9074
334 BE2 0.9074
335 TP5 0.9072
336 3XX 0.9072
337 RP7 0.9070
338 F5B 0.9070
339 60P 0.9064
340 1WD 0.9062
341 ABN 0.9059
342 BEN 0.9058
343 PYJ 0.9058
344 ES9 0.9057
345 1AB 0.9056
346 FPI 0.9052
347 VNJ 0.9051
348 DFB 0.9050
349 7MH 0.9050
350 APY 0.9050
351 1XN 0.9049
352 6PC 0.9048
353 NCA 0.9046
354 FUF 0.9045
355 HOW 0.9044
356 3SK 0.9043
357 ADZ 0.9043
358 23W 0.9038
359 GBL 0.9036
360 273 0.9035
361 HUI 0.9034
362 5MB 0.9033
363 2MZ 0.9033
364 2AI 0.9031
365 1MZ 0.9029
366 ALQ 0.9027
367 GOO 0.9026
368 BAM 0.9024
369 1CB 0.9023
370 NVI 0.9021
371 ABA 0.9020
372 9CL 0.9019
373 MZY 0.9014
374 H4N 0.9013
375 JFD 0.9012
376 L3Q 0.9012
377 CIZ 0.9009
378 B24 0.9009
379 PY7 0.9008
380 IFM 0.9007
381 JKE 0.9005
382 TH7 0.9005
383 FPK 0.9004
384 SMV 0.9003
385 RIB 0.9000
386 7WV 0.8999
387 FK1 0.8996
388 ES6 0.8995
389 8NY 0.8993
390 6AP 0.8989
391 4MZ 0.8989
392 DCY 0.8988
393 TAR 0.8985
394 PAF 0.8984
395 11S 0.8983
396 A2F 0.8981
397 12M 0.8981
398 MR3 0.8980
399 2CK 0.8980
400 IT2 0.8980
401 IP0 0.8978
402 IGA 0.8978
403 14O 0.8978
404 RAM 0.8977
405 F60 0.8976
406 5KX 0.8975
407 5Q0 0.8974
408 5MP 0.8974
409 F81 0.8973
410 5MI 0.8971
411 5H1 0.8971
412 GUN 0.8970
413 290 0.8969
414 4XR 0.8969
415 AMC 0.8966
416 C21 0.8963
417 JZ6 0.8963
418 9DG 0.8963
419 1DU 0.8961
420 2K4 0.8960
421 ASP 0.8960
422 AZA 0.8958
423 NBE 0.8957
424 HQY 0.8957
425 PZA 0.8957
426 DTL 0.8957
427 3ZS 0.8957
428 BOA 0.8956
429 EXO 0.8955
430 PRS 0.8954
431 1NP 0.8953
432 CFP 0.8952
433 EQT 0.8950
434 O72 0.8947
435 7B4 0.8947
436 VGL 0.8945
437 LER 0.8944
438 ADK 0.8944
439 AZF 0.8943
440 5SG 0.8941
441 FLA 0.8940
442 ES1 0.8938
443 TBP 0.8938
444 2XX 0.8937
445 YH7 0.8937
446 KYD 0.8935
447 DCD 0.8934
448 N5J 0.8933
449 1XM 0.8932
450 5IQ 0.8931
451 4YS 0.8930
452 XAN 0.8930
453 TF4 0.8930
454 JPZ 0.8927
455 3MA 0.8924
456 6GU 0.8922
457 THR 0.8922
458 GLC 0.8922
459 NIO 0.8921
460 ATQ 0.8920
461 1LQ 0.8919
462 1LM 0.8918
463 LMR 0.8915
464 G3F 0.8914
465 TFB 0.8914
466 AX7 0.8912
467 270 0.8912
468 P3K 0.8910
469 R2B 0.8910
470 JBH 0.8908
471 1SQ 0.8906
472 HH5 0.8903
473 HH8 0.8900
474 M1A 0.8900
475 CRN 0.8899
476 M58 0.8896
477 261 0.8896
478 BVC 0.8890
479 DPR 0.8890
480 03W 0.8890
481 O7U 0.8888
482 7W4 0.8888
483 141 0.8886
484 Z6J 0.8884
485 OXZ 0.8883
486 TCZ 0.8881
487 9TY 0.8879
488 DX4 0.8878
489 192 0.8877
490 FUB 0.8876
491 4XH 0.8876
492 6F0 0.8876
493 P92 0.8875
494 24W 0.8873
495 KPL 0.8870
496 QSC 0.8870
497 H76 0.8869
498 AZG 0.8868
499 7HQ 0.8868
500 NTN 0.8866
501 ES3 0.8862
502 2ZV 0.8861
503 BYZ 0.8860
504 AKB 0.8856
505 P2D 0.8851
506 HBA 0.8850
507 UNU 0.8850
508 KKN 0.8849
509 NMJ 0.8849
510 JAE 0.8848
511 2MI 0.8847
512 MSN 0.8845
513 HLT 0.8842
514 SS1 0.8839
515 1LN 0.8836
516 NOJ 0.8827
517 ISN 0.8825
518 BCP 0.8821
519 GRE 0.8820
520 IFL 0.8820
521 4PW 0.8820
522 0CU 0.8819
523 5RG 0.8817
524 MRY 0.8815
525 RM4 0.8815
526 BAE 0.8812
527 GIO 0.8811
528 C2A 0.8811
529 ITN 0.8810
530 JZ4 0.8807
531 KOJ 0.8807
532 MZW 0.8801
533 ABV 0.8801
534 ES7 0.8800
535 3DO 0.8799
536 67N 0.8797
537 PBC 0.8797
538 2LP 0.8793
539 I3A 0.8793
540 Q88 0.8793
541 HBS 0.8792
542 82I 0.8790
543 BGC 0.8788
544 6M1 0.8787
545 RNS 0.8785
546 6SP 0.8784
547 EDG 0.8782
548 XQG 0.8782
549 ES0 0.8780
550 MFB 0.8780
551 BHO 0.8780
552 URQ 0.8779
553 FP1 0.8779
554 C2N 0.8775
555 XM0 0.8774
556 XQ0 0.8773
557 TLA 0.8773
558 CWM 0.8770
559 5WV 0.8769
560 51F 0.8767
561 2A7 0.8765
562 B53 0.8764
563 AUD 0.8764
564 PAV 0.8762
565 BVG 0.8760
566 OAA 0.8757
567 HIO 0.8754
568 TAY 0.8753
569 PCA 0.8753
570 AAE 0.8753
571 PYZ 0.8753
572 HVQ 0.8751
573 3OH 0.8751
574 G2F 0.8750
575 FCB 0.8750
576 S76 0.8749
577 BSX 0.8748
578 ASN 0.8747
579 DBH 0.8745
580 HX3 0.8743
581 LDU 0.8742
582 5NU 0.8740
583 3M0 0.8734
584 3HA 0.8731
585 LZM 0.8731
586 3NT 0.8730
587 BAL 0.8730
588 6CS 0.8729
589 3F0 0.8728
590 5AN 0.8728
591 8GC 0.8724
592 54G 0.8721
593 5M0 0.8721
594 1P7 0.8719
595 RM1 0.8714
596 OHG 0.8713
597 5B1 0.8712
598 9X7 0.8711
599 ASO 0.8710
600 3RK 0.8709
601 SX1 0.8708
602 HSE 0.8703
603 5HN 0.8701
604 AC0 0.8701
605 PRY 0.8700
606 32O 0.8695
607 PHB 0.8694
608 DMD 0.8693
609 CP 0.8692
610 PBE 0.8691
611 NOY 0.8690
612 9TZ 0.8690
613 M1E 0.8686
614 GTQ 0.8683
615 IQ0 0.8683
616 BDR 0.8681
617 42A 0.8681
618 AGK 0.8677
619 JBK 0.8674
620 ZZ3 0.8670
621 LCN 0.8670
622 4VP 0.8665
623 MNM 0.8662
624 3HB 0.8657
625 GAB 0.8656
626 UY7 0.8655
627 JZ5 0.8653
628 ARW 0.8651
629 14J 0.8646
630 F0J 0.8645
631 R8S 0.8645
632 3AB 0.8645
633 3ID 0.8643
634 URP 0.8642
635 5MK 0.8641
636 2EZ 0.8640
637 6KX 0.8638
638 9MG 0.8633
639 DTU 0.8633
640 G5V 0.8632
641 HHA 0.8630
642 GIF 0.8630
643 1DQ 0.8628
644 H8N 0.8628
645 5CU 0.8627
646 4M0 0.8624
647 3DM 0.8623
648 3WA 0.8622
649 MRZ 0.8622
650 FA0 0.8620
651 RUU 0.8620
652 DOB 0.8617
653 HFB 0.8612
654 PPF 0.8610
655 MAN 0.8606
656 4JL 0.8600
657 DMJ 0.8590
658 FBA 0.8590
659 MMU 0.8586
660 NCM 0.8585
661 4JM 0.8583
662 BP9 0.8575
663 JBQ 0.8571
664 TZE 0.8570
665 39A 0.8563
666 T2C 0.8562
667 KJY 0.8559
668 03V 0.8554
669 FDB 0.8546
670 LRH 0.8540
671 COU 0.8538
672 V55 0.8536
673 53C 0.8532
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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