Receptor
PDB id Resolution Class Description Source Keywords
5NOS 1.35 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3-AMINO-1H-PYRIDI 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
92Z A:201;
 Valid;
 none;
 submit data
110.114 C5 H6 N2 O 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: 92Z; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 92Z 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 92Z; Similar ligands found: 673
No: Ligand Similarity coefficient
1 3ZQ 1.0252
2 40O 1.0000
3 76X 1.0000
4 L89 1.0000
5 93Q 1.0000
6 938 1.0000
7 2AF 1.0000
8 FP2 1.0000
9 8LG 1.0000
10 OXE 1.0000
11 1AN 1.0000
12 JZ0 1.0000
13 CAQ 1.0000
14 2CH 0.9987
15 HTS 0.9961
16 BEW 0.9960
17 YAN 0.9895
18 6X8 0.9867
19 HSL 0.9835
20 MB3 0.9803
21 DTI 0.9802
22 KSW 0.9796
23 MMZ 0.9789
24 0TR 0.9761
25 285 0.9751
26 XYP 0.9741
27 DMI 0.9733
28 URF 0.9698
29 DUC 0.9693
30 7CZ 0.9683
31 TDR 0.9680
32 WBU 0.9673
33 CYT 0.9672
34 ICP 0.9664
35 1MC 0.9663
36 PYD 0.9662
37 CRS 0.9660
38 JZ3 0.9656
39 RSF 0.9655
40 5UC 0.9653
41 1PT 0.9652
42 MWM 0.9649
43 3MC 0.9647
44 URA 0.9646
45 TMT 0.9642
46 LG3 0.9641
47 RCO 0.9641
48 NK 0.9639
49 MCT 0.9638
50 4ZE 0.9637
51 TMZ 0.9635
52 QOS 0.9634
53 A1U 0.9634
54 H3M 0.9633
55 284 0.9631
56 4AX 0.9630
57 26D 0.9627
58 280 0.9622
59 2MP 0.9621
60 XYD 0.9621
61 34A 0.9614
62 HVK 0.9612
63 LXC 0.9612
64 CXL 0.9610
65 2AC 0.9606
66 CYH 0.9604
67 3CH 0.9600
68 4XX 0.9599
69 IPH 0.9596
70 XBZ 0.9589
71 TH0 0.9587
72 LG5 0.9586
73 HRZ 0.9584
74 3FA 0.9583
75 4HO 0.9582
76 8GF 0.9580
77 0R0 0.9578
78 MBN 0.9576
79 DXX 0.9574
80 BVF 0.9574
81 FFP 0.9570
82 5MH 0.9568
83 9PO 0.9567
84 2AP 0.9567
85 PYG 0.9566
86 TM7 0.9565
87 3AP 0.9563
88 43M 0.9558
89 286 0.9558
90 4AP 0.9557
91 4JO 0.9555
92 GMN 0.9553
93 JZ2 0.9553
94 4CL 0.9553
95 2C9 0.9551
96 BR9 0.9549
97 MBD 0.9549
98 4JJ 0.9547
99 HPY 0.9546
100 LGA 0.9544
101 WOT 0.9544
102 27Y 0.9540
103 MZG 0.9540
104 HT4 0.9537
105 R8A 0.9536
106 MWJ 0.9535
107 FLM 0.9533
108 GXE 0.9525
109 0CT 0.9521
110 7EX 0.9517
111 ECE 0.9514
112 2IM 0.9511
113 XYS 0.9509
114 3CE 0.9505
115 2MY 0.9505
116 2YU 0.9504
117 HGQ 0.9503
118 JZ1 0.9501
119 AHR 0.9500
120 CIG 0.9499
121 NEQ 0.9497
122 5JC 0.9492
123 GVH 0.9491
124 J1Z 0.9491
125 A2Q 0.9491
126 HAI 0.9490
127 BZF 0.9484
128 8CL 0.9475
129 4JP 0.9474
130 6MH 0.9472
131 1XX 0.9469
132 IND 0.9467
133 IUR 0.9466
134 BZI 0.9463
135 3MH 0.9460
136 DEN 0.9454
137 2CM 0.9450
138 B3R 0.9449
139 0R1 0.9445
140 HEW 0.9444
141 FPY 0.9441
142 DUB 0.9440
143 TLD 0.9438
144 M3T 0.9438
145 MPI 0.9424
146 64K 0.9424
147 TTO 0.9422
148 4H2 0.9421
149 HQE 0.9417
150 TM4 0.9415
151 LZ1 0.9414
152 IDH 0.9414
153 CEJ 0.9402
154 9HX 0.9401
155 HPA 0.9399
156 Y8I 0.9399
157 HHN 0.9397
158 HHQ 0.9397
159 7HP 0.9393
160 ADE 0.9391
161 275 0.9390
162 HYN 0.9387
163 V1L 0.9382
164 DA1 0.9380
165 0MK 0.9379
166 PCR 0.9378
167 FPN 0.9377
168 ARA 0.9376
169 2KT 0.9371
170 F05 0.9371
171 RIP 0.9370
172 ICC 0.9366
173 YHO 0.9366
174 HIU 0.9363
175 YTB 0.9363
176 PLQ 0.9363
177 24T 0.9356
178 IDM 0.9353
179 PIH 0.9353
180 DGY 0.9351
181 9DA 0.9350
182 L60 0.9350
183 4DX 0.9347
184 7WA 0.9347
185 6MP 0.9347
186 FUC 0.9345
187 25R 0.9338
188 BTE 0.9337
189 4CH 0.9335
190 DSN 0.9335
191 9EW 0.9329
192 LG4 0.9324
193 BP1 0.9321
194 6UA 0.9318
195 OXL 0.9314
196 ES4 0.9313
197 HGW 0.9312
198 10L 0.9311
199 1WG 0.9308
200 HLR 0.9307
201 GBD 0.9300
202 PM6 0.9296
203 WDL 0.9296
204 150 0.9294
205 AX2 0.9292
206 3Z7 0.9292
207 DMG 0.9291
208 OXQ 0.9286
209 3AY 0.9283
210 4HS 0.9279
211 CYS 0.9279
212 OXM 0.9275
213 KG7 0.9275
214 XIX 0.9273
215 45C 0.9273
216 FOA 0.9272
217 ARB 0.9270
218 JZ9 0.9270
219 13X 0.9268
220 MAK 0.9259
221 PXY 0.9259
222 F4Z 0.9257
223 2OP 0.9256
224 FUL 0.9256
225 5ZE 0.9255
226 4JN 0.9255
227 MLT 0.9253
228 2CQ 0.9252
229 HY3 0.9252
230 BML 0.9250
231 282 0.9250
232 24B 0.9249
233 L3Q 0.9248
234 BR8 0.9246
235 SVN 0.9246
236 OXD 0.9243
237 2MH 0.9242
238 2ZX 0.9234
239 ZZT 0.9227
240 4JU 0.9225
241 23A 0.9224
242 278 0.9221
243 25W 0.9218
244 6HQ 0.9214
245 0RW 0.9213
246 PYR 0.9212
247 HGY 0.9212
248 NIS 0.9212
249 SWD 0.9211
250 G6D 0.9208
251 SER 0.9207
252 94N 0.9206
253 GOL 0.9204
254 93B 0.9204
255 LAC 0.9201
256 HMH 0.9200
257 IOL 0.9199
258 BNZ 0.9198
259 25T 0.9198
260 DAB 0.9195
261 TC7 0.9193
262 B20 0.9188
263 SAL 0.9187
264 GAG 0.9187
265 PYC 0.9186
266 2DR 0.9185
267 SEJ 0.9185
268 FYU 0.9183
269 MZ0 0.9179
270 0PY 0.9179
271 PHZ 0.9176
272 DFU 0.9174
273 SYN 0.9173
274 PRO 0.9170
275 MLA 0.9170
276 6M4 0.9166
277 265 0.9164
278 5AC 0.9163
279 DAL 0.9163
280 ERH 0.9162
281 ABE 0.9160
282 BAQ 0.9160
283 ALA 0.9160
284 KIV 0.9155
285 YCP 0.9154
286 1AC 0.9151
287 3XX 0.9145
288 47J 0.9138
289 HBX 0.9138
290 BEZ 0.9138
291 PYF 0.9135
292 MLI 0.9135
293 AMT 0.9133
294 P3K 0.9132
295 4ZC 0.9132
296 P1R 0.9126
297 VAL 0.9124
298 3U4 0.9123
299 T6C 0.9123
300 260 0.9122
301 FPI 0.9121
302 6AI 0.9112
303 3PY 0.9110
304 BEN 0.9109
305 8H8 0.9109
306 E60 0.9108
307 ABN 0.9108
308 C5J 0.9107
309 JBE 0.9107
310 M2H 0.9107
311 1DH 0.9106
312 6PC 0.9105
313 XXR 0.9100
314 JIF 0.9099
315 BE2 0.9098
316 ALO 0.9097
317 2RA 0.9094
318 GLC 0.9094
319 3MT 0.9093
320 TP5 0.9092
321 NSP 0.9091
322 RP7 0.9090
323 1MR 0.9090
324 PYM 0.9090
325 HMU 0.9088
326 DBB 0.9087
327 A3B 0.9087
328 4SV 0.9086
329 NPY 0.9085
330 DFB 0.9079
331 PY7 0.9079
332 NBE 0.9078
333 QUZ 0.9076
334 RIB 0.9076
335 JAB 0.9074
336 1CB 0.9073
337 5Y9 0.9073
338 BAM 0.9072
339 APY 0.9068
340 1WD 0.9065
341 FUF 0.9064
342 1DW 0.9064
343 BZX 0.9064
344 TZC 0.9062
345 NAK 0.9062
346 2PC 0.9061
347 JBN 0.9061
348 FCA 0.9060
349 NBZ 0.9060
350 VNJ 0.9059
351 NVI 0.9058
352 6M9 0.9058
353 3SK 0.9057
354 35C 0.9057
355 3TR 0.9056
356 BUO 0.9055
357 ES6 0.9055
358 NCA 0.9048
359 60P 0.9044
360 F5B 0.9044
361 23W 0.9044
362 1AB 0.9041
363 IFM 0.9041
364 1XN 0.9039
365 MLM 0.9032
366 GOO 0.9032
367 OXZ 0.9030
368 GBL 0.9030
369 IP0 0.9027
370 ES9 0.9023
371 AMC 0.9023
372 ADZ 0.9021
373 AZF 0.9020
374 JFD 0.9019
375 12M 0.9016
376 CIZ 0.9016
377 ABA 0.9010
378 O7U 0.9009
379 273 0.9008
380 THR 0.9006
381 FPK 0.9005
382 JKE 0.9004
383 5MB 0.9004
384 HUI 0.9004
385 PAF 0.9000
386 RAM 0.8999
387 9CL 0.8997
388 7MH 0.8995
389 9DG 0.8991
390 PYJ 0.8990
391 TH7 0.8989
392 6AP 0.8989
393 IGA 0.8988
394 GUN 0.8987
395 DTL 0.8984
396 4XR 0.8981
397 NIO 0.8980
398 9TY 0.8980
399 4MZ 0.8978
400 A2F 0.8977
401 EXO 0.8976
402 290 0.8976
403 BOA 0.8976
404 7WV 0.8975
405 ATQ 0.8974
406 ASP 0.8970
407 5H1 0.8970
408 2AI 0.8968
409 HOW 0.8967
410 MZY 0.8966
411 2K4 0.8965
412 ADK 0.8964
413 3MA 0.8961
414 5MP 0.8961
415 KYD 0.8960
416 ALQ 0.8960
417 5Q0 0.8959
418 H4N 0.8959
419 LMR 0.8959
420 F81 0.8957
421 XAN 0.8956
422 2MZ 0.8956
423 1MZ 0.8956
424 8NY 0.8954
425 FK1 0.8954
426 TAR 0.8954
427 1XM 0.8953
428 14O 0.8951
429 5MI 0.8950
430 2CK 0.8950
431 6GU 0.8949
432 AZA 0.8948
433 EDG 0.8948
434 HQY 0.8947
435 PZA 0.8946
436 CFP 0.8945
437 5AN 0.8944
438 11S 0.8943
439 F60 0.8943
440 YH7 0.8942
441 B24 0.8940
442 3ZS 0.8939
443 TCZ 0.8937
444 BCP 0.8935
445 SMV 0.8934
446 LER 0.8933
447 O72 0.8933
448 7B4 0.8931
449 MR3 0.8929
450 1NP 0.8926
451 CRN 0.8926
452 G3F 0.8921
453 5SG 0.8919
454 DCY 0.8918
455 5IQ 0.8918
456 261 0.8917
457 ES1 0.8914
458 N5J 0.8911
459 EQT 0.8911
460 270 0.8911
461 5KX 0.8907
462 1LM 0.8907
463 4YS 0.8905
464 1SQ 0.8902
465 1LQ 0.8900
466 AZG 0.8899
467 BVC 0.8898
468 2ZV 0.8896
469 1DU 0.8896
470 VGL 0.8895
471 JPZ 0.8894
472 HBA 0.8893
473 6F0 0.8892
474 IT2 0.8892
475 03W 0.8891
476 DX4 0.8888
477 141 0.8887
478 JBH 0.8886
479 DCD 0.8883
480 Z6J 0.8882
481 24W 0.8881
482 JZ6 0.8879
483 NTN 0.8879
484 NOJ 0.8877
485 FUB 0.8877
486 PRS 0.8877
487 GRE 0.8875
488 FLA 0.8875
489 7HQ 0.8874
490 TBP 0.8872
491 2XX 0.8871
492 KPL 0.8870
493 UNU 0.8866
494 FP1 0.8865
495 SS1 0.8864
496 HH5 0.8863
497 TFB 0.8862
498 ITN 0.8860
499 RNS 0.8858
500 H76 0.8856
501 FCB 0.8855
502 HH8 0.8854
503 C2A 0.8854
504 7W4 0.8853
505 AX7 0.8850
506 B53 0.8847
507 TF4 0.8844
508 R2B 0.8843
509 M1A 0.8842
510 GIO 0.8841
511 C21 0.8841
512 PCA 0.8839
513 192 0.8833
514 4XH 0.8832
515 URQ 0.8831
516 AKB 0.8828
517 ISN 0.8827
518 QSC 0.8827
519 3DO 0.8827
520 I3A 0.8823
521 P2D 0.8819
522 4PW 0.8819
523 JAE 0.8818
524 0CU 0.8817
525 82I 0.8817
526 BGC 0.8817
527 2MI 0.8815
528 6SP 0.8814
529 6M1 0.8811
530 KKN 0.8811
531 JZ4 0.8811
532 MZW 0.8811
533 P92 0.8808
534 MSN 0.8807
535 RM4 0.8806
536 MRY 0.8805
537 8GC 0.8802
538 S76 0.8801
539 HVQ 0.8800
540 KOJ 0.8799
541 ES3 0.8798
542 2LP 0.8798
543 2A7 0.8797
544 TLA 0.8797
545 MFB 0.8793
546 1LN 0.8790
547 XQG 0.8789
548 BVG 0.8788
549 BYZ 0.8785
550 9X7 0.8784
551 HLT 0.8782
552 G2F 0.8780
553 5NU 0.8780
554 BHO 0.8779
555 PHB 0.8778
556 AUD 0.8776
557 M58 0.8775
558 XM0 0.8772
559 67N 0.8771
560 51F 0.8768
561 5RG 0.8764
562 PYZ 0.8764
563 Q88 0.8763
564 BAL 0.8760
565 AC0 0.8758
566 DPR 0.8758
567 LDU 0.8758
568 BAE 0.8757
569 3RK 0.8756
570 6CS 0.8754
571 3M0 0.8750
572 HBS 0.8750
573 HSE 0.8750
574 HIO 0.8748
575 RM1 0.8748
576 URP 0.8747
577 ES7 0.8746
578 CWM 0.8743
579 LCN 0.8741
580 3OH 0.8741
581 PAV 0.8740
582 ASN 0.8738
583 OAA 0.8737
584 AGK 0.8734
585 54G 0.8731
586 5WV 0.8731
587 ASO 0.8730
588 IFL 0.8730
589 PBC 0.8729
590 BSX 0.8728
591 DBH 0.8728
592 GTQ 0.8726
593 NOY 0.8724
594 ES0 0.8723
595 ABV 0.8721
596 3F0 0.8719
597 5M0 0.8718
598 AAE 0.8717
599 TAY 0.8717
600 CP 0.8716
601 M1E 0.8716
602 3HA 0.8714
603 PRY 0.8710
604 LZM 0.8710
605 OHG 0.8710
606 MNM 0.8706
607 H8N 0.8706
608 SX1 0.8706
609 4VP 0.8703
610 XQ0 0.8702
611 GIF 0.8700
612 ZZ3 0.8697
613 3NT 0.8690
614 5CU 0.8689
615 HX3 0.8687
616 32O 0.8686
617 C2B 0.8682
618 1P7 0.8679
619 9TZ 0.8674
620 HHA 0.8673
621 5HN 0.8672
622 42A 0.8671
623 MAN 0.8670
624 RUU 0.8667
625 GXV 0.8667
626 PBE 0.8666
627 R8S 0.8663
628 5B1 0.8661
629 DMJ 0.8660
630 MRZ 0.8659
631 JBK 0.8657
632 BDR 0.8656
633 5MK 0.8654
634 9MG 0.8647
635 14J 0.8647
636 ARW 0.8646
637 DMD 0.8639
638 3AB 0.8635
639 3HB 0.8627
640 6KX 0.8626
641 GAB 0.8625
642 HFB 0.8624
643 BHA 0.8624
644 4M0 0.8622
645 DTU 0.8621
646 FBA 0.8621
647 G5V 0.8619
648 FA0 0.8616
649 NCM 0.8615
650 3DM 0.8614
651 1DQ 0.8613
652 3WA 0.8611
653 MAE 0.8611
654 4JL 0.8610
655 3ID 0.8604
656 BP9 0.8604
657 DOB 0.8603
658 53C 0.8597
659 98J 0.8596
660 39A 0.8589
661 4JM 0.8589
662 WCE 0.8584
663 FDB 0.8575
664 T2C 0.8572
665 JBQ 0.8567
666 SS2 0.8566
667 5WX 0.8563
668 LRH 0.8560
669 TZE 0.8557
670 V55 0.8555
671 KJY 0.8553
672 PXL 0.8529
673 03V 0.8518
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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