Receptor
PDB id Resolution Class Description Source Keywords
5NOT 1.45 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 4-CHLOROPYRIMIDIN 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
938 A:201;
A:202;
 Valid;
Valid;
 none;
none;
 submit data
129.548 C4 H4 Cl N3 c1c(c...
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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: 938; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 938 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 938; Similar ligands found: 668
No: Ligand Similarity coefficient
1 HTS 1.0000
2 JZ0 1.0000
3 CAQ 1.0000
4 FP2 1.0000
5 92Z 1.0000
6 OXE 1.0000
7 3ZQ 1.0000
8 40O 1.0000
9 8LG 0.9992
10 2CH 0.9992
11 BEW 0.9992
12 L89 0.9991
13 93Q 0.9989
14 1AN 0.9983
15 2AF 0.9976
16 6X8 0.9970
17 76X 0.9962
18 MMZ 0.9913
19 YAN 0.9911
20 MB3 0.9803
21 KSW 0.9787
22 DTI 0.9776
23 285 0.9770
24 4XX 0.9757
25 HSL 0.9746
26 JZ3 0.9731
27 5UC 0.9709
28 DMI 0.9701
29 XYP 0.9697
30 H3M 0.9686
31 TDR 0.9670
32 NK 0.9666
33 CXL 0.9665
34 HAI 0.9660
35 URF 0.9659
36 CYH 0.9659
37 ICP 0.9648
38 IPH 0.9637
39 0R0 0.9634
40 TH0 0.9632
41 7CZ 0.9630
42 4AX 0.9630
43 PYD 0.9627
44 GXE 0.9624
45 1PT 0.9624
46 RSF 0.9623
47 WBU 0.9615
48 MBN 0.9612
49 4JO 0.9608
50 1MC 0.9604
51 0TR 0.9600
52 280 0.9599
53 3MC 0.9597
54 4ZE 0.9594
55 MWM 0.9593
56 R8A 0.9590
57 3CE 0.9589
58 XYD 0.9589
59 5MH 0.9584
60 TM4 0.9582
61 9PO 0.9578
62 FFP 0.9578
63 TM7 0.9577
64 A1U 0.9576
65 43M 0.9575
66 CYT 0.9569
67 TTO 0.9566
68 TMZ 0.9565
69 HGW 0.9564
70 MCT 0.9560
71 LXC 0.9559
72 XBZ 0.9557
73 HVK 0.9555
74 2AP 0.9555
75 8CL 0.9555
76 JZ1 0.9552
77 HHN 0.9551
78 DUC 0.9550
79 4AP 0.9550
80 HT4 0.9550
81 3AP 0.9549
82 PIH 0.9547
83 RCO 0.9547
84 26D 0.9547
85 HRZ 0.9544
86 2MP 0.9541
87 286 0.9540
88 284 0.9539
89 WOT 0.9539
90 8GF 0.9538
91 CIG 0.9537
92 CRS 0.9537
93 TMT 0.9536
94 LG3 0.9533
95 LGA 0.9533
96 34A 0.9531
97 JZ2 0.9528
98 URA 0.9528
99 QOS 0.9527
100 275 0.9526
101 FLM 0.9524
102 NEQ 0.9523
103 2AC 0.9522
104 HGQ 0.9521
105 M3T 0.9517
106 1XX 0.9513
107 IUR 0.9509
108 BVF 0.9504
109 4HO 0.9503
110 MBD 0.9503
111 3CH 0.9503
112 5JC 0.9502
113 6MH 0.9501
114 2IM 0.9491
115 PYG 0.9490
116 3FA 0.9488
117 DUB 0.9485
118 LG5 0.9485
119 HEW 0.9483
120 IDH 0.9483
121 MZG 0.9480
122 3MH 0.9480
123 MWJ 0.9480
124 4JJ 0.9472
125 TLD 0.9471
126 2C9 0.9469
127 GMN 0.9468
128 BR9 0.9468
129 27Y 0.9468
130 B3R 0.9466
131 AHR 0.9465
132 4CL 0.9460
133 CYS 0.9460
134 XYS 0.9459
135 7EX 0.9457
136 2YU 0.9457
137 2MY 0.9457
138 J1Z 0.9456
139 V1L 0.9455
140 2CM 0.9454
141 DXX 0.9452
142 HHQ 0.9451
143 Y8I 0.9447
144 HIU 0.9439
145 HPY 0.9435
146 0CT 0.9431
147 DGY 0.9429
148 4H2 0.9426
149 2KT 0.9425
150 A2Q 0.9422
151 93B 0.9400
152 PCR 0.9400
153 BZI 0.9399
154 BZF 0.9397
155 LG4 0.9394
156 DEN 0.9392
157 64K 0.9388
158 ABN 0.9384
159 BML 0.9381
160 GVH 0.9379
161 ECE 0.9377
162 DA1 0.9373
163 2MH 0.9371
164 0R1 0.9370
165 4JU 0.9364
166 4CH 0.9360
167 RIP 0.9359
168 FPN 0.9359
169 4JN 0.9353
170 LZ1 0.9351
171 HQE 0.9345
172 4HS 0.9342
173 PLQ 0.9341
174 HYN 0.9336
175 25R 0.9333
176 IND 0.9330
177 DFB 0.9327
178 MPI 0.9326
179 24T 0.9325
180 DSN 0.9322
181 L60 0.9320
182 YTB 0.9320
183 KG7 0.9311
184 CEJ 0.9310
185 PXY 0.9309
186 0MK 0.9301
187 IDM 0.9300
188 278 0.9300
189 282 0.9299
190 YHO 0.9298
191 F05 0.9297
192 2OP 0.9297
193 KIV 0.9296
194 24B 0.9295
195 OXL 0.9293
196 FOA 0.9292
197 45C 0.9290
198 ADE 0.9285
199 1WG 0.9283
200 4JP 0.9282
201 FPY 0.9280
202 HPA 0.9278
203 3Z7 0.9278
204 HBX 0.9275
205 ES4 0.9275
206 150 0.9275
207 9EW 0.9274
208 OXM 0.9272
209 SYN 0.9270
210 6MP 0.9269
211 E60 0.9268
212 PM6 0.9266
213 FYU 0.9263
214 ZZT 0.9262
215 BP1 0.9262
216 ARA 0.9261
217 XIX 0.9256
218 94N 0.9256
219 2DR 0.9256
220 HMH 0.9255
221 4DX 0.9255
222 7HP 0.9254
223 2CQ 0.9253
224 23A 0.9250
225 JZ9 0.9250
226 IOL 0.9248
227 LAC 0.9239
228 FPI 0.9238
229 ARB 0.9237
230 AZF 0.9236
231 SVN 0.9236
232 7WA 0.9235
233 FUC 0.9235
234 PYF 0.9233
235 PYR 0.9232
236 FUL 0.9230
237 GBD 0.9229
238 9HX 0.9229
239 9DA 0.9226
240 HGY 0.9226
241 6UA 0.9225
242 F4Z 0.9224
243 MAK 0.9219
244 10L 0.9215
245 ICC 0.9215
246 1MR 0.9210
247 AX2 0.9210
248 25T 0.9206
249 0RW 0.9201
250 IFM 0.9201
251 OXD 0.9197
252 P3K 0.9195
253 4ZC 0.9195
254 BTE 0.9194
255 265 0.9194
256 SAL 0.9191
257 1DH 0.9191
258 NBE 0.9190
259 WDL 0.9190
260 AMT 0.9188
261 DAL 0.9185
262 6HQ 0.9183
263 PY7 0.9180
264 DMG 0.9180
265 0PY 0.9178
266 13X 0.9178
267 ALA 0.9176
268 TC7 0.9168
269 OXQ 0.9166
270 NIS 0.9165
271 JAB 0.9161
272 3AY 0.9160
273 2ZX 0.9160
274 BNZ 0.9159
275 260 0.9152
276 SER 0.9152
277 APY 0.9150
278 B20 0.9148
279 PYJ 0.9147
280 MLT 0.9147
281 6M4 0.9147
282 PHZ 0.9146
283 3XX 0.9145
284 TZC 0.9144
285 8H8 0.9141
286 NSP 0.9134
287 RIB 0.9134
288 HY3 0.9132
289 HLR 0.9131
290 JBE 0.9131
291 25W 0.9131
292 5ZE 0.9126
293 1AC 0.9123
294 5AC 0.9121
295 ABE 0.9120
296 PYC 0.9120
297 G6D 0.9119
298 BR8 0.9119
299 P1R 0.9119
300 DFU 0.9116
301 JFD 0.9115
302 4MZ 0.9115
303 3U4 0.9114
304 ES6 0.9113
305 3PY 0.9111
306 6AI 0.9110
307 BE2 0.9107
308 3MT 0.9107
309 5AN 0.9107
310 HMU 0.9105
311 6M9 0.9105
312 T6C 0.9104
313 DAB 0.9103
314 VAL 0.9101
315 JBN 0.9101
316 1MZ 0.9097
317 9CL 0.9096
318 4SV 0.9095
319 GLC 0.9095
320 BEZ 0.9093
321 BZX 0.9093
322 NAK 0.9092
323 GAG 0.9091
324 BAQ 0.9091
325 B24 0.9086
326 DCY 0.9086
327 2MZ 0.9086
328 VNJ 0.9086
329 C5J 0.9081
330 ABA 0.9080
331 NBZ 0.9079
332 3SK 0.9077
333 PRO 0.9077
334 GOO 0.9074
335 PYZ 0.9074
336 PYM 0.9073
337 1WD 0.9073
338 3TR 0.9067
339 9TY 0.9067
340 23W 0.9066
341 NVI 0.9066
342 JIF 0.9066
343 M2H 0.9060
344 IP0 0.9059
345 HOW 0.9055
346 5Y9 0.9054
347 ALO 0.9054
348 261 0.9054
349 JKE 0.9053
350 GOL 0.9053
351 SWD 0.9052
352 MLI 0.9050
353 MZY 0.9048
354 MR3 0.9043
355 1DW 0.9043
356 5KX 0.9042
357 BYZ 0.9041
358 IMR 0.9040
359 1AB 0.9040
360 IT2 0.9039
361 R2B 0.9036
362 ES9 0.9035
363 47J 0.9034
364 2AI 0.9034
365 FPK 0.9034
366 MLA 0.9033
367 OXZ 0.9032
368 BUO 0.9031
369 ES3 0.9031
370 ATQ 0.9030
371 QUZ 0.9029
372 5MB 0.9028
373 JZ6 0.9023
374 HBA 0.9022
375 FCA 0.9020
376 XXR 0.9018
377 TH7 0.9018
378 NOJ 0.9017
379 ERH 0.9012
380 NPY 0.9007
381 TP5 0.9006
382 MZ0 0.9005
383 1CB 0.9004
384 7WV 0.9001
385 YCP 0.9001
386 AMC 0.9000
387 FUF 0.8997
388 H76 0.8995
389 12M 0.8994
390 GBL 0.8991
391 G2F 0.8991
392 SEJ 0.8991
393 G3F 0.8991
394 NCA 0.8988
395 7MH 0.8988
396 BEN 0.8984
397 TAR 0.8982
398 TF4 0.8980
399 35C 0.8980
400 2RA 0.8980
401 F81 0.8980
402 GUN 0.8978
403 273 0.8977
404 EDG 0.8976
405 H4N 0.8975
406 HUI 0.8975
407 11S 0.8972
408 L3Q 0.8970
409 ADZ 0.8970
410 5MI 0.8970
411 FK1 0.8968
412 F5B 0.8967
413 2PC 0.8966
414 Z6J 0.8964
415 FP1 0.8964
416 XAN 0.8964
417 SMV 0.8961
418 THR 0.8960
419 5H1 0.8960
420 14O 0.8956
421 F60 0.8956
422 60P 0.8956
423 MSN 0.8956
424 IFL 0.8952
425 ALQ 0.8952
426 DTL 0.8951
427 1XN 0.8947
428 ADK 0.8947
429 6PC 0.8942
430 AZA 0.8938
431 PZA 0.8937
432 9DG 0.8937
433 2K4 0.8935
434 6AP 0.8934
435 DBB 0.8931
436 A3B 0.8931
437 03W 0.8930
438 8NY 0.8930
439 1LN 0.8926
440 A2F 0.8924
441 RP7 0.8923
442 YH7 0.8923
443 KYD 0.8920
444 PAF 0.8918
445 4XR 0.8917
446 BAM 0.8915
447 LDU 0.8915
448 VGL 0.8914
449 BOA 0.8911
450 2CK 0.8910
451 1XM 0.8907
452 IGA 0.8905
453 1DU 0.8905
454 HLT 0.8903
455 EXO 0.8902
456 4VP 0.8901
457 5MP 0.8900
458 290 0.8900
459 6F0 0.8897
460 82I 0.8895
461 7HQ 0.8890
462 CFP 0.8888
463 9X7 0.8888
464 RAM 0.8888
465 HSE 0.8888
466 H8N 0.8887
467 2XX 0.8886
468 JZ4 0.8886
469 5Q0 0.8885
470 M58 0.8885
471 CIZ 0.8883
472 NMJ 0.8882
473 BVG 0.8880
474 141 0.8879
475 C2A 0.8879
476 I3A 0.8876
477 7B4 0.8876
478 0CU 0.8875
479 QSC 0.8873
480 PHB 0.8873
481 2LP 0.8872
482 NTN 0.8872
483 ASP 0.8870
484 PRS 0.8870
485 DCD 0.8862
486 P2D 0.8862
487 2ZV 0.8862
488 BVC 0.8860
489 8S0 0.8860
490 TBP 0.8859
491 270 0.8854
492 NIO 0.8852
493 TCZ 0.8852
494 LER 0.8851
495 EQT 0.8847
496 C2N 0.8847
497 HQY 0.8846
498 GRE 0.8845
499 BCP 0.8843
500 FUB 0.8843
501 DX4 0.8841
502 AZG 0.8841
503 UNU 0.8840
504 XQG 0.8840
505 39J 0.8840
506 SS1 0.8840
507 5SG 0.8839
508 3ZS 0.8838
509 1NP 0.8835
510 C21 0.8835
511 5NU 0.8835
512 3MA 0.8834
513 5IQ 0.8832
514 MRY 0.8829
515 FLA 0.8829
516 BAE 0.8826
517 3DO 0.8825
518 B53 0.8823
519 4XH 0.8823
520 6GU 0.8820
521 HH5 0.8820
522 NOY 0.8819
523 O72 0.8819
524 PBC 0.8817
525 HH8 0.8816
526 24W 0.8815
527 FBA 0.8812
528 AX7 0.8810
529 O7U 0.8810
530 TFB 0.8810
531 192 0.8808
532 7W4 0.8808
533 N5J 0.8808
534 GIF 0.8806
535 4JM 0.8802
536 4JL 0.8801
537 PRY 0.8800
538 BSX 0.8800
539 KKN 0.8800
540 HVQ 0.8800
541 ES1 0.8798
542 42A 0.8796
543 4YS 0.8796
544 AGK 0.8793
545 MZW 0.8793
546 RNS 0.8792
547 ASO 0.8790
548 6M1 0.8790
549 JPZ 0.8783
550 M1A 0.8783
551 C2B 0.8780
552 CRN 0.8780
553 P92 0.8780
554 KPL 0.8780
555 LMR 0.8779
556 1LM 0.8778
557 UEG 0.8777
558 OHG 0.8774
559 1SQ 0.8772
560 PAV 0.8770
561 2A7 0.8768
562 LZM 0.8768
563 JBH 0.8766
564 HX3 0.8764
565 1LQ 0.8764
566 LCN 0.8763
567 MAN 0.8760
568 BHO 0.8759
569 QWN 0.8757
570 32O 0.8757
571 4PW 0.8756
572 DTU 0.8756
573 RM1 0.8754
574 RM4 0.8753
575 2EZ 0.8752
576 AAE 0.8750
577 69O 0.8746
578 MFB 0.8745
579 ABV 0.8742
580 AUD 0.8742
581 6CS 0.8741
582 ISN 0.8738
583 BP9 0.8737
584 MNM 0.8737
585 ZZ3 0.8736
586 DMJ 0.8734
587 HCS 0.8734
588 2MI 0.8731
589 51F 0.8730
590 HBS 0.8730
591 ITN 0.8730
592 KOJ 0.8729
593 FCB 0.8729
594 5RG 0.8728
595 ES7 0.8726
596 6SP 0.8725
597 S76 0.8725
598 8GC 0.8725
599 XM0 0.8724
600 AC0 0.8722
601 TZE 0.8720
602 GTQ 0.8719
603 TLA 0.8716
604 FA0 0.8712
605 54G 0.8712
606 5M0 0.8712
607 HHA 0.8711
608 ARW 0.8708
609 5CU 0.8704
610 5MK 0.8703
611 9TZ 0.8700
612 QXW 0.8700
613 JBK 0.8699
614 DPR 0.8699
615 GIO 0.8698
616 DBH 0.8698
617 67N 0.8698
618 3RK 0.8692
619 5WV 0.8691
620 RUU 0.8690
621 3M0 0.8690
622 SX1 0.8689
623 PCA 0.8688
624 3F0 0.8684
625 Q88 0.8684
626 XQ0 0.8680
627 3HA 0.8680
628 5B1 0.8678
629 4M0 0.8678
630 HIO 0.8678
631 3OH 0.8671
632 FAN 0.8671
633 ES0 0.8669
634 6KX 0.8666
635 SS2 0.8663
636 JAE 0.8660
637 URQ 0.8658
638 1P7 0.8658
639 IPB 0.8657
640 XUL 0.8656
641 NCM 0.8655
642 3NT 0.8651
643 DMD 0.8649
644 CWM 0.8645
645 BHA 0.8644
646 ASN 0.8640
647 PRI 0.8637
648 DOB 0.8636
649 JZ5 0.8634
650 IPZ 0.8630
651 AKB 0.8624
652 GYE 0.8621
653 XBT 0.8607
654 3DM 0.8604
655 14J 0.8603
656 PXL 0.8602
657 BNS 0.8601
658 PBE 0.8600
659 URP 0.8590
660 OAA 0.8583
661 7VJ 0.8579
662 5HN 0.8571
663 3ID 0.8570
664 9MG 0.8567
665 FDB 0.8558
666 3AB 0.8557
667 BBF 0.8518
668 V55 0.8511
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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