Receptor
PDB id Resolution Class Description Source Keywords
5NOV 2 Å EC: 5.2.1.8 STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH HEXAHYDROPYRIMIDI THIONE 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
93B A:201;
Valid;
none;
submit data
116.185 C4 H8 N2 S C1CNC...
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: 93B; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 93B 1 1
2 L60 0.428571 0.717949
Similar Ligands (3D)
Ligand no: 1; Ligand: 93B; Similar ligands found: 581
No: Ligand Similarity coefficient
1 IPH 1.0000
2 CYH 1.0000
3 CXL 1.0000
4 HAI 0.9979
5 7EX 0.9957
6 2IM 0.9948
7 A2Q 0.9931
8 V1L 0.9905
9 MBN 0.9890
10 GXE 0.9880
11 8CL 0.9880
12 3AP 0.9860
13 4AP 0.9860
14 2AP 0.9850
15 HVK 0.9840
16 LGA 0.9840
17 TTO 0.9830
18 HHN 0.9830
19 HRZ 0.9830
20 ATQ 0.9823
21 9PO 0.9810
22 1CB 0.9807
23 BAQ 0.9803
24 SYN 0.9800
25 PIH 0.9790
26 WOT 0.9746
27 HGW 0.9740
28 CEJ 0.9729
29 PYJ 0.9715
30 NVI 0.9715
31 HBX 0.9711
32 282 0.9710
33 ABN 0.9688
34 26D 0.9688
35 HPY 0.9681
36 GBL 0.9678
37 6SP 0.9678
38 KSW 0.9677
39 B24 0.9668
40 AMC 0.9666
41 3MT 0.9660
42 MB3 0.9660
43 4CH 0.9658
44 HSL 0.9637
45 APY 0.9631
46 BVC 0.9628
47 1MR 0.9625
48 FPI 0.9622
49 URA 0.9622
50 3TR 0.9610
51 PRI 0.9608
52 PY7 0.9602
53 4JU 0.9597
54 NBE 0.9596
55 IDH 0.9595
56 HGQ 0.9593
57 AMT 0.9590
58 4MZ 0.9590
59 BML 0.9587
60 MZ0 0.9583
61 CRS 0.9580
62 DUC 0.9579
63 2KT 0.9575
64 BVG 0.9575
65 ECE 0.9574
66 MZY 0.9570
67 2MZ 0.9570
68 1MZ 0.9570
69 9CL 0.9568
70 MMZ 0.9561
71 CYS 0.9561
72 5KX 0.9560
73 HOW 0.9560
74 ICC 0.9555
75 HVQ 0.9542
76 BYZ 0.9540
77 MR3 0.9530
78 HYN 0.9520
79 ES3 0.9520
80 2AI 0.9520
81 284 0.9514
82 H3M 0.9512
83 285 0.9508
84 DGY 0.9504
85 MLA 0.9503
86 PYZ 0.9500
87 5MP 0.9489
88 4AX 0.9483
89 BEW 0.9481
90 CYT 0.9480
91 PCR 0.9480
92 JZ6 0.9480
93 2MH 0.9475
94 MLI 0.9472
95 LG3 0.9470
96 LG5 0.9470
97 LG4 0.9460
98 RCO 0.9460
99 BVF 0.9460
100 PYF 0.9453
101 3PY 0.9444
102 KG7 0.9443
103 2EZ 0.9438
104 JZ3 0.9436
105 DMG 0.9433
106 DSN 0.9431
107 HQE 0.9430
108 E60 0.9430
109 4HS 0.9430
110 HIU 0.9421
111 24T 0.9420
112 PLQ 0.9420
113 25T 0.9418
114 25R 0.9411
115 CIG 0.9410
116 XIX 0.9410
117 DA1 0.9410
118 FPN 0.9410
119 4JN 0.9410
120 8GF 0.9410
121 PXY 0.9406
122 280 0.9405
123 GOL 0.9404
124 OXL 0.9400
125 B3R 0.9400
126 938 0.9400
127 93Q 0.9400
128 03W 0.9397
129 1DH 0.9391
130 3CH 0.9390
131 PHZ 0.9384
132 BNZ 0.9384
133 SER 0.9383
134 OXM 0.9378
135 HUI 0.9371
136 4H2 0.9370
137 1AN 0.9370
138 40O 0.9367
139 R8A 0.9364
140 CAQ 0.9360
141 2CH 0.9360
142 HTS 0.9360
143 P1R 0.9354
144 278 0.9350
145 4XX 0.9350
146 B20 0.9347
147 URF 0.9345
148 PYR 0.9344
149 6X8 0.9342
150 0PY 0.9341
151 DMI 0.9340
152 FP2 0.9340
153 IOL 0.9340
154 NK 0.9339
155 4DX 0.9334
156 DXX 0.9334
157 DTI 0.9331
158 HEW 0.9330
159 M3T 0.9330
160 XAP 0.9325
161 8LG 0.9324
162 SMB 0.9323
163 JZ0 0.9321
164 HHQ 0.9320
165 A3B 0.9317
166 DBB 0.9317
167 TMZ 0.9314
168 R2B 0.9313
169 ABA 0.9313
170 OXD 0.9313
171 PYG 0.9307
172 HGY 0.9300
173 ALA 0.9300
174 HBA 0.9296
175 DE2 0.9290
176 3ZQ 0.9289
177 IDM 0.9288
178 FPY 0.9286
179 DCY 0.9285
180 3OH 0.9284
181 2OP 0.9280
182 WBU 0.9277
183 3ZS 0.9275
184 C5J 0.9271
185 0R0 0.9271
186 TMT 0.9260
187 YAN 0.9260
188 23W 0.9257
189 OHG 0.9256
190 286 0.9253
191 VAL 0.9251
192 FW5 0.9247
193 1PT 0.9246
194 JZ1 0.9243
195 RP7 0.9241
196 LDU 0.9240
197 R1X 0.9228
198 2RA 0.9225
199 LAC 0.9225
200 1AC 0.9208
201 9X7 0.9206
202 39J 0.9206
203 92Z 0.9204
204 C2N 0.9198
205 BU4 0.9197
206 ALO 0.9196
207 1AB 0.9194
208 EDG 0.9193
209 DAL 0.9193
210 C2A 0.9187
211 BAL 0.9186
212 L89 0.9183
213 BP9 0.9181
214 J1Z 0.9180
215 4HO 0.9180
216 IMR 0.9173
217 76X 0.9173
218 MLM 0.9171
219 NCA 0.9170
220 2AF 0.9169
221 NAK 0.9169
222 THR 0.9168
223 1DU 0.9167
224 DTL 0.9164
225 4VP 0.9164
226 BEZ 0.9158
227 BEN 0.9154
228 HCS 0.9151
229 MLT 0.9143
230 YHO 0.9141
231 NBZ 0.9141
232 MCT 0.9140
233 A1U 0.9140
234 KIV 0.9140
235 1MC 0.9140
236 BUO 0.9137
237 MRY 0.9137
238 XYP 0.9137
239 6PC 0.9135
240 BAM 0.9135
241 RSF 0.9134
242 JBN 0.9133
243 6UA 0.9131
244 4CL 0.9130
245 PZA 0.9127
246 PRO 0.9123
247 GVH 0.9120
248 4JJ 0.9120
249 BR9 0.9120
250 27Y 0.9120
251 2PC 0.9119
252 OXE 0.9118
253 NIO 0.9116
254 DEN 0.9114
255 XYD 0.9110
256 TDR 0.9110
257 MAK 0.9108
258 NCM 0.9101
259 BZF 0.9100
260 MBD 0.9100
261 3MC 0.9100
262 JZ5 0.9094
263 JZ9 0.9093
264 BZI 0.9090
265 MPI 0.9090
266 IND 0.9090
267 ICP 0.9090
268 PYD 0.9083
269 UNU 0.9083
270 PBC 0.9081
271 TFB 0.9080
272 0R1 0.9080
273 JZ2 0.9080
274 2AC 0.9080
275 MZG 0.9080
276 6MH 0.9079
277 HSE 0.9077
278 SMV 0.9077
279 TM4 0.9074
280 3GR 0.9071
281 TZC 0.9070
282 TM7 0.9070
283 3FA 0.9070
284 MWJ 0.9070
285 MWM 0.9070
286 XBZ 0.9070
287 275 0.9069
288 4JL 0.9067
289 3CE 0.9065
290 2YU 0.9065
291 P2D 0.9064
292 DAB 0.9064
293 4ZE 0.9063
294 AKB 0.9063
295 9YL 0.9061
296 YCP 0.9061
297 2MY 0.9060
298 LZ1 0.9060
299 C2B 0.9059
300 GOA 0.9058
301 NEQ 0.9058
302 LER 0.9058
303 1XX 0.9056
304 FBA 0.9055
305 HT4 0.9050
306 2C9 0.9050
307 2DR 0.9050
308 ALQ 0.9049
309 M58 0.9045
310 FOA 0.9044
311 TH0 0.9040
312 DUB 0.9040
313 5MH 0.9040
314 PYC 0.9038
315 AAE 0.9038
316 XYS 0.9035
317 RIB 0.9033
318 PYM 0.9032
319 QSC 0.9031
320 BUA 0.9030
321 GXV 0.9028
322 MEU 0.9028
323 2CM 0.9027
324 4JP 0.9027
325 FFP 0.9026
326 5JC 0.9024
327 34A 0.9022
328 ITU 0.9021
329 0TR 0.9021
330 0CT 0.9020
331 SS2 0.9020
332 VGL 0.9019
333 SAR 0.9017
334 BMD 0.9014
335 5UC 0.9010
336 FLM 0.9010
337 2MP 0.9008
338 BUQ 0.9006
339 GMN 0.9005
340 DFB 0.9005
341 IFM 0.9005
342 273 0.9001
343 TP5 0.9001
344 T2C 0.8999
345 BAE 0.8997
346 3MH 0.8996
347 PEL 0.8991
348 MMU 0.8990
349 WDL 0.8990
350 FAH 0.8985
351 1SP 0.8983
352 SS1 0.8975
353 OXQ 0.8974
354 NIS 0.8973
355 7MH 0.8972
356 HY3 0.8972
357 3HL 0.8971
358 192 0.8971
359 Y8I 0.8970
360 4JM 0.8967
361 69O 0.8967
362 AX2 0.8965
363 NTN 0.8965
364 IQ0 0.8964
365 IT2 0.8962
366 HAE 0.8962
367 JZ7 0.8960
368 ASP 0.8957
369 AHR 0.8955
370 3BB 0.8952
371 4JO 0.8952
372 2ZX 0.8951
373 5Y9 0.8950
374 GBD 0.8949
375 GAG 0.8948
376 5AC 0.8947
377 RSO 0.8946
378 HSM 0.8946
379 BNS 0.8945
380 GLY 0.8943
381 LXC 0.8940
382 GLV 0.8940
383 5ZE 0.8939
384 3AY 0.8937
385 51F 0.8937
386 CHT 0.8935
387 43M 0.8933
388 IVA 0.8932
389 DPR 0.8932
390 13X 0.8930
391 94N 0.8930
392 HBR 0.8928
393 HBS 0.8927
394 MTG 0.8925
395 PPI 0.8924
396 MRZ 0.8923
397 PRS 0.8923
398 FAN 0.8922
399 IUR 0.8916
400 HPA 0.8913
401 NIE 0.8911
402 PCA 0.8911
403 H8N 0.8910
404 R3W 0.8910
405 PHB 0.8900
406 F3V 0.8898
407 47J 0.8896
408 C21 0.8896
409 O7U 0.8894
410 SGL 0.8892
411 265 0.8890
412 TLD 0.8888
413 AC0 0.8886
414 ARA 0.8884
415 T6C 0.8883
416 2HA 0.8882
417 5AN 0.8880
418 SSN 0.8876
419 FLA 0.8875
420 NVA 0.8872
421 CRN 0.8870
422 MAE 0.8869
423 CEE 0.8868
424 HDA 0.8866
425 AGK 0.8864
426 DTU 0.8863
427 ADE 0.8863
428 OXZ 0.8862
429 64K 0.8860
430 ERH 0.8858
431 ARB 0.8857
432 4XR 0.8857
433 HY1 0.8856
434 AZF 0.8856
435 RUU 0.8854
436 SIN 0.8852
437 SAL 0.8848
438 7HP 0.8847
439 FJO 0.8844
440 KOJ 0.8843
441 7CZ 0.8841
442 CXF 0.8839
443 GIF 0.8839
444 2HE 0.8837
445 FUF 0.8837
446 OAA 0.8836
447 BE2 0.8833
448 TZE 0.8833
449 PEA 0.8832
450 271 0.8830
451 0MK 0.8827
452 PAE 0.8825
453 60P 0.8822
454 BR8 0.8821
455 3XX 0.8821
456 RIP 0.8820
457 CP 0.8817
458 ITN 0.8811
459 MZW 0.8808
460 2A1 0.8807
461 FYU 0.8806
462 23A 0.8800
463 LMR 0.8800
464 FUB 0.8797
465 TCZ 0.8792
466 Z6J 0.8788
467 BXA 0.8787
468 DTT 0.8786
469 9TY 0.8783
470 CIZ 0.8783
471 DFU 0.8783
472 260 0.8778
473 FUC 0.8774
474 261 0.8771
475 TF4 0.8770
476 DCD 0.8770
477 ES6 0.8770
478 BZX 0.8764
479 HMH 0.8763
480 JIF 0.8762
481 F81 0.8762
482 F50 0.8758
483 IP0 0.8757
484 6HQ 0.8757
485 AKR 0.8757
486 VNJ 0.8753
487 3Z7 0.8750
488 YTB 0.8749
489 HVB 0.8748
490 2XX 0.8748
491 3U4 0.8748
492 32O 0.8747
493 HZP 0.8747
494 ABU 0.8738
495 3HR 0.8736
496 61G 0.8736
497 ZZT 0.8734
498 BTE 0.8733
499 24B 0.8732
500 CSS 0.8730
501 P3K 0.8729
502 NHY 0.8722
503 AGU 0.8720
504 MGX 0.8720
505 ABE 0.8720
506 NMU 0.8720
507 ETM 0.8720
508 D2P 0.8719
509 JKE 0.8719
510 ASN 0.8715
511 PZO 0.8713
512 HYP 0.8711
513 270 0.8710
514 HV2 0.8708
515 UY7 0.8707
516 IMD 0.8706
517 TRI 0.8706
518 8H8 0.8706
519 FUL 0.8704
520 HUH 0.8701
521 BTL 0.8700
522 M2H 0.8700
523 SEJ 0.8694
524 ETF 0.8692
525 TAY 0.8686
526 TBP 0.8685
527 3SK 0.8682
528 PM6 0.8680
529 7WG 0.8679
530 FP1 0.8678
531 TH7 0.8678
532 NSP 0.8675
533 ZZ3 0.8674
534 40E 0.8673
535 ICN 0.8671
536 10L 0.8670
537 NMJ 0.8669
538 2MI 0.8660
539 H76 0.8659
540 9DA 0.8657
541 2A7 0.8657
542 1WD 0.8655
543 HMU 0.8652
544 9HX 0.8651
545 9A4 0.8649
546 ES4 0.8646
547 AX7 0.8640
548 J3K 0.8639
549 ATO 0.8637
550 TSZ 0.8637
551 TB6 0.8636
552 1LN 0.8632
553 98J 0.8631
554 ODV 0.8627
555 7WA 0.8620
556 6MP 0.8619
557 HX3 0.8614
558 TAR 0.8612
559 PXO 0.8610
560 FCN 0.8606
561 PBE 0.8604
562 P92 0.8600
563 2CK 0.8598
564 PAV 0.8598
565 S76 0.8598
566 4SV 0.8595
567 F05 0.8593
568 KPL 0.8592
569 BP1 0.8590
570 JZ4 0.8584
571 UYA 0.8574
572 PPF 0.8570
573 XPO 0.8570
574 HLT 0.8570
575 BRP 0.8570
576 ILE 0.8568
577 6M4 0.8568
578 FCA 0.8559
579 ALF 0.8558
580 CP2 0.8552
581 JBE 0.8538
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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