Receptor
PDB id Resolution Class Description Source Keywords
1W8L 1.8 Å EC: 5.2.1.8 ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON PEPTIDE LIG CYCLOPHILIN COMPLEXES HOMO SAPIENS COMPLEX (ISOMERASE-IMMUNOSUPPRESSANT) NON-PEPTIDE LIGAND IMULTIGENE FAMILY ROTAMASE
Ref.: ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON-PE LIGAND-CYCLOPHILIN COMPLEXES ACTA CRYSTALLOGR.,SECT.D V. 60 479 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1P3 A:1166;
Valid;
none;
Ki = 320 mM
141.211 C8 H15 N O C[C@@...
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: 1P3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1P3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1P3; Similar ligands found: 1188
No: Ligand Similarity coefficient
1 3AB 0.9867
2 53C 0.9830
3 3NT 0.9819
4 GAB 0.9807
5 4CS 0.9801
6 3HB 0.9793
7 NMJ 0.9773
8 OVV 0.9764
9 PCA 0.9736
10 3BZ 0.9689
11 3OC 0.9660
12 5HN 0.9641
13 WCE 0.9632
14 BRT 0.9601
15 8GC 0.9591
16 5RG 0.9567
17 4NC 0.9550
18 51R 0.9545
19 BAM 0.9536
20 6CS 0.9530
21 54G 0.9529
22 5M0 0.9528
23 MRZ 0.9526
24 3HA 0.9516
25 GTQ 0.9514
26 UYA 0.9513
27 DOR 0.9510
28 OAA 0.9507
29 MLT 0.9506
30 HZP 0.9503
31 VGL 0.9492
32 BEZ 0.9486
33 ORO 0.9480
34 BEN 0.9471
35 BE2 0.9465
36 NCA 0.9464
37 3F0 0.9451
38 QSC 0.9447
39 YCP 0.9445
40 MYJ 0.9444
41 HHA 0.9440
42 PZA 0.9439
43 P9P 0.9438
44 3U4 0.9435
45 J9T 0.9434
46 NIO 0.9433
47 XX2 0.9432
48 SAL 0.9432
49 45L 0.9429
50 DHB 0.9427
51 NBZ 0.9426
52 PBC 0.9421
53 9TZ 0.9420
54 UNU 0.9416
55 XCZ 0.9415
56 HY3 0.9413
57 5MK 0.9413
58 14J 0.9411
59 3MB 0.9403
60 2HO 0.9403
61 6PC 0.9402
62 INO 0.9400
63 DBH 0.9397
64 OXC 0.9396
65 AW5 0.9390
66 NTN 0.9390
67 3M0 0.9389
68 SS1 0.9380
69 RSF 0.9377
70 D1X 0.9377
71 BZX 0.9376
72 3SK 0.9376
73 OVM 0.9374
74 JBK 0.9374
75 OW4 0.9374
76 ES6 0.9374
77 9TW 0.9374
78 VNJ 0.9362
79 F05 0.9362
80 UY7 0.9358
81 QSB 0.9356
82 93K 0.9347
83 6M9 0.9346
84 2AL 0.9343
85 HPA 0.9342
86 ISZ 0.9339
87 TEO 0.9335
88 FE DB1 0.9331
89 IHB 0.9329
90 SX1 0.9322
91 069 0.9321
92 7B4 0.9320
93 ISD 0.9319
94 LMR 0.9318
95 7HP 0.9317
96 HSO 0.9316
97 C2A 0.9316
98 PRO 0.9316
99 QY9 0.9315
100 NIZ 0.9314
101 RNS 0.9312
102 M58 0.9309
103 GUN 0.9308
104 URP 0.9308
105 CHB 0.9308
106 BNS 0.9306
107 JAE 0.9305
108 FQI 0.9304
109 ADE 0.9303
110 IT2 0.9300
111 OVP 0.9299
112 6M4 0.9297
113 2K4 0.9293
114 R8S 0.9293
115 F60 0.9292
116 FA1 0.9285
117 GIF 0.9284
118 6MP 0.9283
119 5MB 0.9282
120 SJ5 0.9281
121 5OB 0.9280
122 4SV 0.9277
123 FBW 0.9276
124 BZ3 0.9276
125 1P7 0.9275
126 9DG 0.9275
127 AGK 0.9274
128 OHP 0.9272
129 3FH 0.9272
130 BE7 0.9271
131 RSO 0.9268
132 RIB 0.9265
133 A13 0.9265
134 9HX 0.9263
135 14O 0.9263
136 HY1 0.9259
137 3AL 0.9259
138 9DA 0.9258
139 34D 0.9257
140 GAG 0.9257
141 PZI 0.9257
142 JFJ 0.9256
143 I3A 0.9255
144 2XX 0.9253
145 UGC 0.9253
146 6AI 0.9253
147 TFB 0.9252
148 AZA 0.9251
149 BSX 0.9251
150 HH8 0.9251
151 ES9 0.9250
152 BTE 0.9250
153 GBD 0.9249
154 7MU 0.9249
155 N5J 0.9248
156 L3Q 0.9248
157 3HP 0.9246
158 BP1 0.9244
159 1NP 0.9243
160 5MI 0.9243
161 JKE 0.9242
162 JLZ 0.9241
163 IDM 0.9241
164 AC0 0.9240
165 5H1 0.9239
166 TP5 0.9239
167 261 0.9238
168 7WG 0.9238
169 AHR 0.9233
170 JBH 0.9231
171 9EW 0.9230
172 0RW 0.9230
173 PM6 0.9229
174 5IQ 0.9229
175 DHK 0.9229
176 ASP 0.9229
177 10L 0.9227
178 5Q0 0.9227
179 FK1 0.9227
180 1LQ 0.9227
181 MNN 0.9226
182 ASC 0.9225
183 RNT 0.9225
184 JZ4 0.9223
185 5SG 0.9222
186 3HM 0.9221
187 263 0.9221
188 9MG 0.9221
189 1LM 0.9219
190 JPZ 0.9218
191 XAN 0.9218
192 NNO 0.9217
193 PRY 0.9215
194 ES1 0.9215
195 1SQ 0.9212
196 T2C 0.9211
197 SS2 0.9211
198 MXN 0.9210
199 FYU 0.9210
200 URA 0.9209
201 TIU 0.9208
202 PMB 0.9208
203 7VS 0.9207
204 11S 0.9205
205 Q6T 0.9204
206 IFP 0.9203
207 4XR 0.9202
208 I1E 0.9202
209 HYP 0.9201
210 3Z7 0.9199
211 4XH 0.9197
212 4A3 0.9196
213 VNL 0.9196
214 FPI 0.9193
215 2PC 0.9193
216 OMD 0.9192
217 HQ9 0.9192
218 4YS 0.9192
219 IQ0 0.9192
220 BHO 0.9190
221 DBJ 0.9189
222 23A 0.9187
223 5HY 0.9186
224 7HQ 0.9183
225 FHB 0.9182
226 141 0.9181
227 60P 0.9181
228 IND 0.9179
229 2A7 0.9178
230 A2F 0.9178
231 Q88 0.9178
232 X0V 0.9175
233 FAN 0.9175
234 6AP 0.9174
235 5B1 0.9173
236 ADZ 0.9172
237 KBB 0.9171
238 51F 0.9171
239 FB2 0.9171
240 NOJ 0.9170
241 4JT 0.9169
242 H4N 0.9167
243 LYL 0.9166
244 DHS 0.9166
245 HJP 0.9165
246 EYK 0.9164
247 DOB 0.9164
248 PEP 0.9163
249 8EZ 0.9162
250 1DW 0.9162
251 KOJ 0.9161
252 AZG 0.9159
253 DYA 0.9159
254 BZI 0.9158
255 DPR 0.9157
256 ES4 0.9157
257 7WA 0.9157
258 HX3 0.9156
259 3ID 0.9155
260 HLZ 0.9154
261 3Z8 0.9154
262 1DJ 0.9154
263 K5W 0.9153
264 FBM 0.9153
265 FPK 0.9152
266 LZ1 0.9152
267 HQY 0.9152
268 HBD 0.9151
269 SVN 0.9150
270 YH7 0.9150
271 NPO 0.9149
272 PDC 0.9149
273 ABN 0.9147
274 DBX 0.9146
275 2DR 0.9146
276 5RN 0.9146
277 FB1 0.9145
278 PHB 0.9144
279 5AC 0.9143
280 COI 0.9143
281 FBV 0.9143
282 JZ9 0.9142
283 DGJ 0.9142
284 290 0.9140
285 XM0 0.9140
286 XQ0 0.9140
287 TLA 0.9136
288 26D 0.9135
289 DMD 0.9133
290 3XX 0.9133
291 HBX 0.9133
292 4FS 0.9132
293 EA1 0.9132
294 CXF 0.9132
295 2CK 0.9131
296 C2U 0.9131
297 0R1 0.9130
298 CFP 0.9130
299 MPI 0.9129
300 OXQ 0.9128
301 UNC 0.9128
302 4HC 0.9127
303 PAC 0.9126
304 1XM 0.9125
305 EKZ 0.9125
306 SMV 0.9124
307 TZE 0.9123
308 1DV 0.9123
309 CRS 0.9122
310 IGA 0.9120
311 24W 0.9120
312 FEH 0.9119
313 BZF 0.9119
314 4NG 0.9118
315 DEN 0.9118
316 JZ5 0.9118
317 5XC 0.9117
318 5NU 0.9116
319 VGD 0.9115
320 47J 0.9114
321 2AQ 0.9114
322 GDE 0.9114
323 CWM 0.9113
324 42A 0.9111
325 JZ7 0.9111
326 GVH 0.9110
327 PRS 0.9109
328 SYN 0.9108
329 M1H 0.9108
330 5CU 0.9108
331 COU 0.9107
332 ES5 0.9107
333 DFB 0.9106
334 AHB 0.9105
335 IOM 0.9105
336 SKM 0.9105
337 4FH 0.9105
338 FA0 0.9104
339 F9P 0.9104
340 TH7 0.9104
341 OCH 0.9101
342 NFQ 0.9101
343 KKN 0.9100
344 CFI 0.9100
345 SVD 0.9099
346 7NI 0.9098
347 PEL 0.9097
348 7WV 0.9096
349 1WD 0.9096
350 JZ3 0.9096
351 ICO 0.9096
352 IZC 0.9096
353 QUZ 0.9095
354 AKH 0.9095
355 AS3 0.9095
356 XYL 0.9094
357 QSH 0.9094
358 ET2 0.9093
359 PAB 0.9093
360 8NY 0.9092
361 NK 0.9092
362 03V 0.9091
363 TAR 0.9091
364 PEA 0.9090
365 2CQ 0.9090
366 ASN 0.9090
367 IJZ 0.9089
368 DIU 0.9089
369 SHA 0.9089
370 SR1 0.9088
371 BOA 0.9088
372 0CT 0.9088
373 AMC 0.9088
374 TPA 0.9087
375 F31 0.9087
376 GYE 0.9083
377 PHU 0.9083
378 2RH 0.9082
379 4P5 0.9082
380 2TQ 0.9081
381 JBE 0.9081
382 LT2 0.9081
383 QDK 0.9080
384 AC6 0.9080
385 BHA 0.9080
386 URC 0.9080
387 ITN 0.9079
388 XQG 0.9078
389 N4B 0.9078
390 NPY 0.9077
391 MO8 0.9077
392 42C 0.9076
393 FBU 0.9075
394 1MR 0.9074
395 2ZM 0.9074
396 CLW 0.9073
397 V55 0.9073
398 0R0 0.9073
399 M1A 0.9072
400 1PT 0.9072
401 MJ2 0.9072
402 271 0.9071
403 4AA 0.9071
404 FOT 0.9069
405 2LP 0.9069
406 URF 0.9069
407 3DO 0.9068
408 ZZT 0.9068
409 LDP 0.9067
410 TZC 0.9067
411 DX4 0.9066
412 HIS 0.9066
413 XUL 0.9065
414 67N 0.9061
415 LNR 0.9058
416 LZM 0.9058
417 HXX 0.9058
418 1Y6 0.9057
419 282 0.9056
420 I4B 0.9055
421 EUG 0.9055
422 P72 0.9055
423 PYJ 0.9055
424 1P8 0.9053
425 APY 0.9052
426 HSE 0.9051
427 HIO 0.9050
428 EHM 0.9050
429 RAM 0.9050
430 SNE 0.9049
431 52C 0.9049
432 HGQ 0.9048
433 JBN 0.9048
434 GJZ 0.9047
435 WBU 0.9047
436 OK7 0.9047
437 SD4 0.9045
438 1XN 0.9045
439 ES0 0.9045
440 RCO 0.9045
441 GLC 0.9045
442 ISN 0.9044
443 BDP 0.9044
444 MWM 0.9043
445 FOA 0.9043
446 PYC 0.9043
447 CEE 0.9042
448 IFM 0.9041
449 QWN 0.9041
450 273 0.9041
451 ZZ3 0.9041
452 RM1 0.9040
453 ES7 0.9039
454 4SX 0.9039
455 S76 0.9038
456 173 0.9038
457 3IT 0.9038
458 HQJ 0.9035
459 GCB 0.9034
460 PBZ 0.9034
461 150 0.9033
462 Z82 0.9033
463 GLY GLY 0.9033
464 AX7 0.9032
465 GAL 0.9032
466 7N0 0.9032
467 0P6 0.9031
468 1WG 0.9030
469 DA4 0.9029
470 98J 0.9028
471 C21 0.9028
472 AKG 0.9027
473 5NI 0.9027
474 X09 0.9026
475 OKG 0.9026
476 25W 0.9024
477 SRT 0.9022
478 54D 0.9022
479 23W 0.9022
480 THE 0.9020
481 4P0 0.9019
482 5UC 0.9019
483 IF7 0.9019
484 PY7 0.9019
485 PD2 0.9019
486 AL0 0.9018
487 3R6 0.9018
488 LG3 0.9018
489 F0J 0.9017
490 1DU 0.9016
491 EDG 0.9016
492 NDH 0.9016
493 GLU 0.9016
494 HMU 0.9016
495 270 0.9015
496 3CH 0.9015
497 0TR 0.9015
498 BGC 0.9015
499 XLS 0.9014
500 4M0 0.9014
501 EV0 0.9014
502 NBE 0.9014
503 3PF 0.9014
504 4MA 0.9014
505 8H8 0.9012
506 TDR 0.9011
507 ASO 0.9010
508 SEP 0.9009
509 HH5 0.9009
510 42J 0.9009
511 3NY 0.9006
512 L99 0.9006
513 6LW 0.9005
514 OXZ 0.9005
515 2AS 0.9005
516 DIE 0.9004
517 5XB 0.9004
518 GV9 0.9004
519 4ZE 0.9003
520 Q24 0.9002
521 5WV 0.9002
522 0W8 0.9002
523 AZ8 0.9000
524 HT4 0.9000
525 XBT 0.9000
526 ADA 0.9000
527 2D0 0.8999
528 DS0 0.8999
529 36R 0.8999
530 8OZ 0.8998
531 4HM 0.8997
532 OHG 0.8997
533 286 0.8996
534 LEU 0.8996
535 PYF 0.8995
536 3DM 0.8995
537 8WO 0.8994
538 CYT 0.8993
539 KP6 0.8992
540 ES2 0.8992
541 AQO 0.8992
542 FP1 0.8992
543 1LN 0.8992
544 LG5 0.8991
545 Z6J 0.8990
546 86J 0.8989
547 9CL 0.8989
548 K7M 0.8987
549 2CO 0.8986
550 M0Q 0.8986
551 FBB 0.8985
552 2HQ 0.8985
553 2MP 0.8985
554 HBA 0.8985
555 3A9 0.8985
556 IDH 0.8984
557 H42 0.8984
558 2F6 0.8984
559 F12 0.8983
560 ABV 0.8983
561 M3T 0.8983
562 7W4 0.8983
563 2AC 0.8983
564 GRE 0.8983
565 284 0.8982
566 MCT 0.8982
567 0HO 0.8982
568 M2K 0.8981
569 G2H 0.8980
570 5VM 0.8980
571 KDF 0.8980
572 A1U 0.8979
573 TH0 0.8979
574 EVA 0.8977
575 5JC 0.8977
576 MUA 0.8977
577 4ZC 0.8976
578 2YU 0.8976
579 FUM 0.8976
580 8TX 0.8975
581 GLN 0.8975
582 RB5 0.8974
583 E7Z 0.8974
584 G4D 0.8974
585 BVF 0.8974
586 K2T 0.8972
587 TZL 0.8971
588 M5K 0.8971
589 ZBT 0.8971
590 6NT 0.8971
591 3SL 0.8971
592 CWS 0.8970
593 4RW 0.8970
594 UFV 0.8969
595 CMS 0.8968
596 MWP 0.8968
597 CTL 0.8967
598 8GF 0.8966
599 PE0 0.8964
600 GLA 0.8962
601 MEW 0.8962
602 PBE 0.8961
603 6JN 0.8961
604 34A 0.8960
605 QXW 0.8959
606 TM7 0.8958
607 ARW 0.8958
608 TSU 0.8955
609 4Z4 0.8953
610 1F1 0.8953
611 XBZ 0.8952
612 0HN 0.8952
613 HQD 0.8952
614 PKU 0.8952
615 2MI 0.8951
616 CN0 0.8951
617 XYD 0.8951
618 265 0.8951
619 4H2 0.8950
620 M4T 0.8950
621 GLL 0.8948
622 KPL 0.8948
623 329 0.8947
624 0CU 0.8947
625 4HO 0.8947
626 FA3 0.8947
627 G2F 0.8946
628 HLR 0.8946
629 1MC 0.8945
630 MZG 0.8945
631 DUC 0.8945
632 ABI 0.8945
633 SIN 0.8945
634 PEQ 0.8944
635 NXA 0.8944
636 HCS 0.8943
637 1AL 0.8943
638 CRN 0.8942
639 KT7 0.8942
640 A29 0.8942
641 HMH 0.8940
642 MAN 0.8940
643 PYD 0.8939
644 ICP 0.8939
645 45C 0.8939
646 A7W 0.8939
647 9RW 0.8939
648 B55 0.8938
649 SPV 0.8938
650 32O 0.8938
651 G5V 0.8935
652 KIV 0.8935
653 B3R 0.8934
654 SWA 0.8933
655 JA8 0.8933
656 717 0.8933
657 6F0 0.8933
658 75K 0.8932
659 ROR 0.8932
660 0V5 0.8932
661 4M4 0.8930
662 FUB 0.8929
663 F81 0.8929
664 IP0 0.8929
665 32X 0.8928
666 EOL 0.8928
667 TC7 0.8927
668 N7P 0.8927
669 5QX 0.8927
670 FGZ 0.8926
671 URQ 0.8926
672 AJ2 0.8925
673 4VP 0.8925
674 KUF 0.8924
675 8CM 0.8923
676 LXC 0.8923
677 R8V 0.8921
678 DIG 0.8921
679 BCP 0.8921
680 24B 0.8919
681 HEW 0.8919
682 IPB 0.8919
683 FRU 0.8918
684 GLY PRO 0.8918
685 2PG 0.8918
686 J1Z 0.8917
687 MR1 0.8917
688 174 0.8916
689 4CL 0.8916
690 4JJ 0.8916
691 P3K 0.8915
692 CIG 0.8915
693 P92 0.8914
694 7A8 0.8914
695 LDU 0.8914
696 DIN 0.8913
697 WOO 0.8912
698 MEV 0.8911
699 5QY 0.8911
700 PRA 0.8911
701 43M 0.8910
702 NYL 0.8910
703 4XV 0.8910
704 GLT 0.8910
705 FCR 0.8910
706 MRW 0.8909
707 5WX 0.8909
708 275 0.8907
709 RHU 0.8907
710 C2Y 0.8906
711 5JQ 0.8905
712 KYD 0.8905
713 RJY 0.8905
714 1AB 0.8904
715 FUL 0.8904
716 1DQ 0.8904
717 DRL 0.8903
718 GP9 0.8903
719 F4Z 0.8902
720 QIC 0.8902
721 6NI 0.8902
722 X05 0.8900
723 ECE 0.8900
724 Y8I 0.8899
725 LSA 0.8899
726 M2H 0.8898
727 SMN 0.8898
728 ICF 0.8897
729 PRZ 0.8896
730 X6X 0.8894
731 1SA 0.8893
732 6UA 0.8892
733 XAZ 0.8891
734 JZ2 0.8890
735 B24 0.8890
736 MAK 0.8890
737 CTS 0.8889
738 ICC 0.8888
739 PYG 0.8888
740 BNF 0.8887
741 R2B 0.8886
742 826 0.8886
743 HZQ 0.8886
744 5MH 0.8886
745 GAF 0.8886
746 XXR 0.8885
747 G6D 0.8885
748 EDR 0.8885
749 GXY 0.8884
750 M1E 0.8884
751 NOY 0.8883
752 GTR 0.8883
753 4XS 0.8883
754 NSP 0.8883
755 K34 0.8883
756 GZL 0.8882
757 R8A 0.8882
758 BP9 0.8882
759 MWJ 0.8881
760 M0W 0.8880
761 BTY 0.8879
762 JZ1 0.8878
763 2H5 0.8878
764 40E 0.8878
765 CSS 0.8878
766 RIP 0.8876
767 6M1 0.8875
768 L5V 0.8875
769 RMN 0.8874
770 27Y 0.8873
771 4ZA 0.8872
772 UAN 0.8871
773 MZW 0.8871
774 GUA 0.8871
775 IUR 0.8870
776 MLE 0.8868
777 495 0.8867
778 92K 0.8867
779 6OT 0.8867
780 AZF 0.8867
781 M3H 0.8866
782 DHQ 0.8865
783 D07 0.8864
784 SW7 0.8864
785 MBD 0.8864
786 OGA 0.8864
787 PSV 0.8863
788 ZXD 0.8863
789 EQT 0.8862
790 LCN 0.8862
791 MT0 0.8860
792 H3M 0.8859
793 39A 0.8859
794 8IG 0.8858
795 7W1 0.8858
796 3HG 0.8858
797 12Q 0.8857
798 FSG 0.8856
799 SAN 0.8856
800 KJY 0.8854
801 R9S 0.8854
802 4JP 0.8853
803 DE5 0.8853
804 3MC 0.8853
805 9YL 0.8853
806 VAL 0.8853
807 2ZV 0.8852
808 DTL 0.8852
809 LER 0.8851
810 YIO 0.8849
811 HQT 0.8849
812 BR9 0.8849
813 13X 0.8849
814 OW7 0.8849
815 LGC 0.8849
816 0F9 0.8848
817 SHG 0.8847
818 JB5 0.8847
819 KJU 0.8844
820 DGL 0.8844
821 3AY 0.8843
822 5JL 0.8843
823 KJH 0.8843
824 T6C 0.8843
825 G3H 0.8843
826 4JO 0.8842
827 N8P 0.8841
828 XYP 0.8841
829 IPZ 0.8841
830 3PG 0.8840
831 RBL 0.8840
832 HHQ 0.8840
833 FUF 0.8839
834 HPY 0.8839
835 TAG 0.8839
836 IFL 0.8838
837 II6 0.8838
838 JAW 0.8838
839 PHE 0.8838
840 12M 0.8837
841 MAE 0.8836
842 XSP 0.8835
843 23J 0.8835
844 GCU 0.8834
845 5ZE 0.8834
846 69O 0.8834
847 G3F 0.8834
848 4JQ 0.8834
849 FBJ 0.8833
850 0MK 0.8833
851 FPY 0.8832
852 XYS 0.8832
853 TLD 0.8831
854 DAS 0.8831
855 DGN 0.8830
856 2FG 0.8829
857 NK2 0.8829
858 ERH 0.8828
859 2A9 0.8827
860 PAF 0.8825
861 THR 0.8825
862 DFU 0.8824
863 R67 0.8824
864 GIO 0.8823
865 SC2 0.8823
866 MS9 0.8822
867 O7U 0.8822
868 FUD 0.8822
869 QMP 0.8820
870 FLM 0.8820
871 INE 0.8820
872 XIY 0.8820
873 AX2 0.8819
874 MBG 0.8819
875 SAF 0.8819
876 GZ3 0.8818
877 DQA 0.8818
878 HPS 0.8817
879 7MH 0.8817
880 DUB 0.8816
881 PXL 0.8816
882 HX2 0.8816
883 Z5P 0.8816
884 9X7 0.8815
885 JAB 0.8815
886 2EC 0.8815
887 ILE 0.8814
888 285 0.8813
889 SE2 0.8813
890 7CZ 0.8812
891 8WT 0.8812
892 44V 0.8812
893 HDA 0.8812
894 3CE 0.8811
895 ARB 0.8811
896 OTR 0.8810
897 B2J 0.8810
898 4YO 0.8810
899 AZ9 0.8809
900 2MN 0.8808
901 6MH 0.8807
902 DQU 0.8807
903 B62 0.8807
904 13P 0.8805
905 H76 0.8802
906 2AK 0.8802
907 ZGL 0.8802
908 HDH 0.8801
909 1XX 0.8800
910 G3E 0.8799
911 T9G 0.8798
912 4ME 0.8796
913 0OC 0.8796
914 SOR 0.8796
915 J5I 0.8795
916 GMN 0.8792
917 YSO 0.8792
918 9TY 0.8791
919 AFR 0.8791
920 DCL 0.8790
921 WOT 0.8790
922 4SD 0.8790
923 ABE 0.8789
924 BVC 0.8789
925 A09 0.8789
926 PGH 0.8788
927 TSS 0.8787
928 3WA 0.8787
929 BR8 0.8786
930 15L 0.8786
931 5GU 0.8785
932 PAH 0.8784
933 IPM 0.8784
934 8G0 0.8783
935 H62 0.8783
936 D48 0.8782
937 OSE 0.8782
938 QUS 0.8781
939 2ZQ 0.8781
940 82I 0.8780
941 149 0.8780
942 FBA 0.8780
943 OEM 0.8779
944 FDB 0.8777
945 URS 0.8777
946 SOE 0.8776
947 SF6 0.8774
948 SYV 0.8774
949 2MY 0.8774
950 7ZE 0.8774
951 MNM 0.8773
952 AOS 0.8773
953 JIF 0.8771
954 XRG 0.8770
955 3BU 0.8769
956 HSM 0.8769
957 PMF 0.8768
958 KBG 0.8768
959 ONR 0.8768
960 3FA 0.8767
961 ALL 0.8767
962 KTA 0.8767
963 GCS 0.8765
964 NID 0.8765
965 1GN 0.8765
966 0JD 0.8763
967 RPQ 0.8761
968 IV2 0.8760
969 OTD 0.8760
970 2CM 0.8759
971 2CL 0.8759
972 EXO 0.8758
973 TTL 0.8757
974 FK8 0.8757
975 MFB 0.8757
976 7WR 0.8757
977 FFP 0.8756
978 9KH 0.8755
979 4JL 0.8753
980 SIF 0.8753
981 MRY 0.8752
982 GXL 0.8751
983 B60 0.8750
984 PSJ 0.8750
985 0N7 0.8749
986 FUC 0.8749
987 5WY 0.8749
988 MAQ 0.8748
989 AC5 0.8748
990 SKA 0.8748
991 VXX 0.8748
992 MZB 0.8748
993 GLO 0.8748
994 CWJ 0.8747
995 WDL 0.8746
996 PEZ 0.8746
997 ZWZ 0.8746
998 95Z 0.8746
999 64K 0.8746
1000 BMA 0.8745
1001 4MV 0.8745
1002 VOH 0.8744
1003 ONL 0.8742
1004 4WL 0.8740
1005 AAS 0.8740
1006 DHY 0.8739
1007 9FL 0.8738
1008 DMJ 0.8737
1009 N2I 0.8736
1010 4FA 0.8736
1011 RAT 0.8734
1012 2C9 0.8732
1013 1GP 0.8731
1014 NCD 0.8731
1015 H7Y 0.8730
1016 6RQ 0.8730
1017 LRH 0.8729
1018 I2M 0.8729
1019 G3P 0.8728
1020 YRL 0.8728
1021 CIT 0.8728
1022 GIV 0.8726
1023 ARA 0.8726
1024 293 0.8725
1025 0LH 0.8725
1026 MET 0.8725
1027 9X6 0.8724
1028 2FT 0.8724
1029 F9Y 0.8723
1030 XXG 0.8723
1031 MFU 0.8721
1032 PPR 0.8721
1033 TRC 0.8719
1034 DNF 0.8718
1035 NVU 0.8718
1036 8S0 0.8717
1037 MUC 0.8716
1038 TMH 0.8715
1039 LLQ 0.8715
1040 9R5 0.8714
1041 1M2 0.8714
1042 2HU 0.8713
1043 AJV 0.8713
1044 BK9 0.8713
1045 2ZX 0.8711
1046 CIZ 0.8711
1047 B53 0.8710
1048 2BG 0.8709
1049 HVQ 0.8709
1050 0GZ 0.8707
1051 97T 0.8704
1052 280 0.8704
1053 3PY 0.8702
1054 92P 0.8700
1055 AEF 0.8697
1056 94W 0.8697
1057 XHP 0.8695
1058 INS 0.8695
1059 8ZE 0.8694
1060 FBT 0.8693
1061 N8Y 0.8690
1062 FBS 0.8690
1063 BDF 0.8689
1064 RUU 0.8689
1065 XXP 0.8688
1066 PBA 0.8688
1067 4J8 0.8684
1068 6VD 0.8682
1069 B57 0.8681
1070 NVI 0.8680
1071 KMH 0.8679
1072 FH2 0.8678
1073 HA5 0.8678
1074 3MH 0.8677
1075 GOJ 0.8677
1076 152 0.8676
1077 GRO 0.8676
1078 TEP 0.8676
1079 8EW 0.8675
1080 AEH 0.8672
1081 7MK 0.8671
1082 DPF 0.8669
1083 258 0.8668
1084 XX3 0.8668
1085 FLC 0.8668
1086 ORN 0.8667
1087 FLA 0.8667
1088 3C7 0.8667
1089 2KT 0.8667
1090 R1X 0.8665
1091 NGO 0.8663
1092 HA7 0.8661
1093 2HG 0.8661
1094 QPR 0.8659
1095 SF9 0.8659
1096 2LY 0.8659
1097 BCU 0.8659
1098 GLY CYS 0.8659
1099 3RK 0.8658
1100 M44 0.8658
1101 TBP 0.8658
1102 NTM 0.8657
1103 SKG 0.8655
1104 GCO 0.8655
1105 AMS 0.8654
1106 278 0.8653
1107 CEJ 0.8651
1108 3MA 0.8650
1109 NEQ 0.8649
1110 GGL 0.8648
1111 TCZ 0.8647
1112 YHO 0.8645
1113 H95 0.8642
1114 GOO 0.8642
1115 SDD 0.8641
1116 GNL 0.8640
1117 FDK 0.8640
1118 JXN 0.8638
1119 ALO 0.8638
1120 4TU 0.8635
1121 OTW 0.8634
1122 PRI 0.8634
1123 E5X 0.8634
1124 3YP 0.8633
1125 MQN 0.8631
1126 AMG 0.8631
1127 3V4 0.8631
1128 CAQ 0.8629
1129 4HP 0.8629
1130 SYC 0.8627
1131 JFD 0.8627
1132 2MH 0.8627
1133 NGT 0.8624
1134 0TU 0.8624
1135 IMR 0.8622
1136 G8M 0.8622
1137 KIB 0.8622
1138 LNO 0.8621
1139 RM4 0.8619
1140 BEW 0.8618
1141 JDN 0.8616
1142 B85 0.8614
1143 AMH 0.8613
1144 PG0 0.8613
1145 NDM 0.8612
1146 0FO 0.8609
1147 PA1 0.8609
1148 FW5 0.8609
1149 SYM 0.8608
1150 SXS 0.8607
1151 FCB 0.8606
1152 I1N 0.8604
1153 S2G 0.8603
1154 GLF 0.8603
1155 X1S 0.8603
1156 MLI 0.8602
1157 FCA 0.8600
1158 ICB 0.8600
1159 AHN 0.8600
1160 J9Q 0.8598
1161 9PY 0.8596
1162 JB8 0.8595
1163 HLD 0.8590
1164 C2B 0.8588
1165 15E 0.8587
1166 4AV 0.8585
1167 AN0 0.8578
1168 VK3 0.8575
1169 DMG 0.8574
1170 MVN 0.8572
1171 HCI 0.8570
1172 ZZ8 0.8569
1173 BML 0.8557
1174 4JU 0.8556
1175 E35 0.8556
1176 CDV 0.8552
1177 4PW 0.8550
1178 SEJ 0.8545
1179 Q7A 0.8542
1180 3MG 0.8535
1181 259 0.8533
1182 MSN 0.8530
1183 SYG 0.8529
1184 KIA 0.8528
1185 AAE 0.8520
1186 NLE 0.8516
1187 IAC 0.8516
1188 091 0.8516
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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