Receptor
PDB id Resolution Class Description Source Keywords
1KTA 1.9 Å EC: 2.6.1.42 HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE : THREE DIM STRUCTURE OF THE ENZYME IN ITS PYRIDOXAMINE PHOSPHATE FORM. HOMO SAPIENS FOLD TYPE IV TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF HUMAN MITOCHONDRIAL BRANCHED AMINOTRANSFERASE REACTION INTERMEDIATES: KETIMINE A PYRIDOXAMINE PHOSPHATE FORMS BIOCHEMISTRY V. 41 11592 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:1003;
A:1006;
A:1007;
B:1001;
B:1002;
B:1004;
B:1005;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
60.052 C2 H4 O2 CC(=O...
GOL B:2001;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
KIV B:3001;
 Valid;
 none;
 submit data
116.115 C5 H8 O3 CC(C)...
PMP A:400;
B:900;
 Valid;
Valid;
 none;
none;
 submit data
248.173 C8 H13 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I60 2.12 Å EC: 2.6.1.42 X-RAY CRYSTAL STRUCTURE AT 2.12A RESOLUTION OF HUMAN MITOCHO BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIC OMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. HOMO SAPIENS FOLD TYPE IV TRANSFERASE
Ref.: STRUCTURALLY DIVERSE MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) LEADS WITH VARYING BINDING IDENTIFIED BY FRAGMENT SCREENING. J.MED.CHEM. V. 59 2452 2016
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
22 2COI Ki = 3.5 mM GBN C9 H17 N O2 C1CCC(CC1)....
23 2COJ Ki = 1.3 mM GBN C9 H17 N O2 C1CCC(CC1)....
24 2COG - 4MV C6 H12 O2 CC(C)CCC(=....
25 2ABJ ic50 = 0.8 uM CBC C16 H10 Cl F3 N2 O4 S c1ccc(c(c1....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
22 2COI Ki = 3.5 mM GBN C9 H17 N O2 C1CCC(CC1)....
23 2COJ Ki = 1.3 mM GBN C9 H17 N O2 C1CCC(CC1)....
24 2COG - 4MV C6 H12 O2 CC(C)CCC(=....
25 2ABJ ic50 = 0.8 uM CBC C16 H10 Cl F3 N2 O4 S c1ccc(c(c1....
26 3UZO - PLP C8 H10 N O6 P Cc1c(c(c(c....
27 3UYY - PLP C8 H10 N O6 P Cc1c(c(c(c....
28 3HT5 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
29 5U3F - 7TS C11 H14 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KIV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KIV 1 1
2 ALQ 0.5625 0.642857
3 2OP 0.444444 0.625
4 LAC 0.444444 0.625
5 PYR 0.411765 0.785714
Ligand no: 2; Ligand: PMP; Similar ligands found: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 IN5 0.57377 0.912281
5 PLG 0.57377 0.866667
6 P1T 0.571429 0.825397
7 CKT 0.5625 0.85
8 PLR 0.557692 0.781818
9 2BK 0.553846 0.881356
10 TLP 0.553846 0.881356
11 2BO 0.553846 0.881356
12 PDD 0.546875 0.881356
13 PP3 0.546875 0.881356
14 PDA 0.546875 0.881356
15 ILP 0.544118 0.852459
16 33P 0.538462 0.896552
17 IK2 0.538462 0.825397
18 OJQ 0.537313 0.746479
19 PLS 0.530303 0.866667
20 5PA 0.530303 0.825397
21 PMH 0.530303 0.742857
22 PLP 0.527273 0.767857
23 PPD 0.522388 0.866667
24 C6P 0.522388 0.866667
25 ORX 0.521127 0.854839
26 PXM 0.52 0.735849
27 PZP 0.517857 0.836364
28 PLA 0.514706 0.8125
29 PY5 0.514706 0.8125
30 PL2 0.514286 0.84127
31 QLP 0.514286 0.815385
32 PE1 0.513889 0.854839
33 PPG 0.513514 0.825397
34 P0P 0.508772 0.8
35 HEY 0.507042 0.8125
36 7TS 0.5 0.702703
37 CBA 0.5 0.83871
38 7XF 0.5 0.83871
39 PLP PMP 0.5 0.944444
40 EA5 0.5 0.828125
41 PDG 0.5 0.83871
42 PGU 0.5 0.83871
43 3LM 0.5 0.787879
44 9YM 0.493151 0.868852
45 LCS 0.492958 0.675676
46 LPI 0.492958 0.776119
47 DCS 0.492958 0.712329
48 PMG 0.492958 0.787879
49 PY6 0.486111 0.787879
50 76U 0.486111 0.825397
51 PL4 0.48 0.854839
52 PSZ 0.479452 0.8
53 N5F 0.479452 0.825397
54 4LM 0.462687 0.725806
55 0JO 0.462687 0.714286
56 AN7 0.461538 0.741379
57 RW2 0.460526 0.8
58 0PR 0.460526 0.852459
59 PXG 0.460526 0.866667
60 FOO 0.454545 0.75
61 PL8 0.454545 0.732394
62 NPL 0.45 0.898305
63 FEV 0.449275 0.714286
64 RMT 0.448718 0.765625
65 KAM 0.448718 0.825397
66 1D0 0.444444 0.8
67 2B1 0.443038 0.690141
68 DN9 0.443038 0.742857
69 7B9 0.443038 0.764706
70 EVM 0.442857 0.786885
71 P3D 0.442857 0.85
72 EPC 0.439394 0.789474
73 MP5 0.438596 0.728814
74 PLP CYS 0.43662 0.836066
75 PLP SER 0.434783 0.864407
76 EXT 0.432836 0.79661
77 AQ3 0.426829 0.8125
78 2B6 0.426829 0.662162
79 F0G 0.414286 0.762712
80 MPM 0.414286 0.75
81 PLP 2TL 0.410959 0.85
82 KOU 0.408451 0.8
83 SEP PLP 0.405405 0.85
84 PLP BH2 0.405405 0.85
85 PLP 0A0 0.405405 0.796875
86 HCP 0.402778 0.741935
87 Z98 0.4 0.777778
88 LEU PLP 0.4 0.822581
89 PFM 0.4 0.770492
Similar Ligands (3D)
Ligand no: 1; Ligand: KIV; Similar ligands found: 852
No: Ligand Similarity coefficient
1 VAL 1.0000
2 MAK 1.0000
3 THR 0.9980
4 AKB 0.9954
5 ALO 0.9952
6 MLI 0.9731
7 3PY 0.9724
8 MLA 0.9722
9 TMZ 0.9717
10 MAE 0.9693
11 3HL 0.9676
12 THE 0.9672
13 VAH 0.9661
14 TMT 0.9637
15 69O 0.9607
16 HIU 0.9607
17 JBN 0.9602
18 192 0.9595
19 DMG 0.9590
20 2KT 0.9589
21 TZC 0.9587
22 9X7 0.9585
23 ILE 0.9583
24 IPU 0.9580
25 FLA 0.9579
26 GBD 0.9579
27 CYS 0.9578
28 265 0.9573
29 TP5 0.9572
30 9TY 0.9566
31 AAE 0.9560
32 HUI 0.9560
33 C21 0.9557
34 9YL 0.9555
35 QFH 0.9552
36 SIN 0.9552
37 3HR 0.9547
38 60P 0.9536
39 23B 0.9535
40 SER 0.9534
41 PRO 0.9533
42 PYC 0.9527
43 C5J 0.9527
44 FOA 0.9525
45 FUM 0.9522
46 4XX 0.9520
47 DSN 0.9518
48 273 0.9518
49 JAB 0.9516
50 MLM 0.9515
51 DE2 0.9514
52 1AC 0.9507
53 KG7 0.9506
54 DXX 0.9503
55 P2D 0.9494
56 OXQ 0.9494
57 5AC 0.9492
58 PLQ 0.9488
59 J1Z 0.9482
60 2PC 0.9481
61 H95 0.9478
62 FPN 0.9477
63 GG6 0.9474
64 HX2 0.9473
65 HQE 0.9471
66 NMG 0.9470
67 GAG 0.9470
68 HSE 0.9469
69 DAB 0.9463
70 AC5 0.9458
71 6PC 0.9456
72 BEN 0.9452
73 TFB 0.9452
74 DA1 0.9452
75 03W 0.9450
76 DGY 0.9450
77 HY3 0.9447
78 IVA 0.9447
79 4CH 0.9442
80 HCS 0.9440
81 PCR 0.9440
82 NCA 0.9440
83 HV2 0.9436
84 LG4 0.9435
85 RSF 0.9435
86 DBB 0.9430
87 BZI 0.9426
88 NVA 0.9426
89 IND 0.9422
90 IHG 0.9421
91 CHT 0.9420
92 MPI 0.9418
93 SMB 0.9416
94 DEN 0.9415
95 280 0.9414
96 ABA 0.9414
97 PYG 0.9410
98 XLS 0.9405
99 IDM 0.9405
100 0CT 0.9403
101 PZA 0.9403
102 4MV 0.9402
103 0R1 0.9401
104 BZF 0.9398
105 LZ1 0.9398
106 3MC 0.9397
107 VGL 0.9396
108 ABU 0.9394
109 25R 0.9394
110 PXY 0.9393
111 OXE 0.9389
112 GVH 0.9388
113 MBD 0.9385
114 NBZ 0.9384
115 DPR 0.9383
116 2IM 0.9382
117 40E 0.9381
118 PRS 0.9378
119 2MH 0.9373
120 BML 0.9371
121 2RA 0.9370
122 SMV 0.9368
123 BEZ 0.9367
124 BE7 0.9367
125 4HS 0.9364
126 9PO 0.9364
127 RB5 0.9364
128 XYL 0.9364
129 4JU 0.9363
130 OAA 0.9361
131 PAE 0.9360
132 CMS 0.9360
133 ASP 0.9359
134 39J 0.9356
135 URF 0.9355
136 IPH 0.9352
137 ASN 0.9350
138 4ZE 0.9348
139 TDR 0.9347
140 ECE 0.9345
141 4JP 0.9344
142 T2C 0.9344
143 ICC 0.9343
144 A3B 0.9342
145 LER 0.9340
146 MRY 0.9340
147 HDA 0.9340
148 FJO 0.9338
149 NXA 0.9337
150 M58 0.9337
151 25T 0.9337
152 XBZ 0.9337
153 LMR 0.9336
154 MWM 0.9336
155 282 0.9334
156 4JN 0.9334
157 2C9 0.9333
158 CRN 0.9332
159 IOM 0.9332
160 2MP 0.9329
161 NIO 0.9329
162 CP 0.9328
163 NTN 0.9327
164 UNU 0.9325
165 ABN 0.9324
166 275 0.9323
167 MZ0 0.9322
168 WBU 0.9322
169 FFP 0.9321
170 C2N 0.9320
171 AC0 0.9320
172 MBN 0.9319
173 COI 0.9319
174 BAM 0.9317
175 TM4 0.9317
176 HRZ 0.9315
177 3CE 0.9315
178 A2Q 0.9314
179 IQ0 0.9311
180 SS2 0.9310
181 QSC 0.9310
182 FLM 0.9309
183 1MC 0.9306
184 3FA 0.9305
185 GMN 0.9305
186 JZ9 0.9305
187 DCY 0.9305
188 1AB 0.9304
189 4AP 0.9304
190 SYN 0.9301
191 6MP 0.9300
192 PYD 0.9300
193 ICP 0.9300
194 34A 0.9300
195 SSN 0.9300
196 R2B 0.9298
197 V1L 0.9297
198 8X3 0.9297
199 938 0.9296
200 HVK 0.9296
201 2MY 0.9295
202 EDG 0.9293
203 GXE 0.9293
204 ROR 0.9292
205 2CM 0.9290
206 APY 0.9290
207 3MH 0.9289
208 4HO 0.9287
209 SAL 0.9285
210 2AP 0.9284
211 2CH 0.9284
212 CXL 0.9282
213 JBE 0.9280
214 5UC 0.9280
215 MCT 0.9280
216 DYA 0.9279
217 278 0.9279
218 WOT 0.9276
219 3AP 0.9275
220 HTS 0.9274
221 2AC 0.9274
222 TAR 0.9273
223 5MH 0.9270
224 NVI 0.9269
225 L89 0.9268
226 EHM 0.9267
227 ES4 0.9265
228 1DH 0.9265
229 TH0 0.9265
230 BEW 0.9264
231 XYD 0.9263
232 NBE 0.9261
233 HPA 0.9261
234 9DA 0.9260
235 98J 0.9260
236 PG3 0.9257
237 7WA 0.9255
238 LGA 0.9254
239 PY7 0.9253
240 HAI 0.9252
241 8CL 0.9252
242 ITN 0.9251
243 0TR 0.9250
244 51F 0.9246
245 43M 0.9246
246 BE2 0.9245
247 PYF 0.9243
248 I2M 0.9242
249 2YU 0.9241
250 SWD 0.9241
251 TZE 0.9240
252 TM7 0.9240
253 4JO 0.9240
254 YAN 0.9238
255 HBX 0.9238
256 23W 0.9237
257 HYA 0.9237
258 MRZ 0.9237
259 7CZ 0.9235
260 CEJ 0.9235
261 VNJ 0.9233
262 MLT 0.9233
263 SS1 0.9232
264 1PT 0.9232
265 IOL 0.9231
266 PM6 0.9230
267 6MH 0.9229
268 LXC 0.9228
269 IFM 0.9227
270 93Q 0.9227
271 BP1 0.9227
272 KSW 0.9226
273 NK 0.9224
274 BUA 0.9224
275 AMC 0.9224
276 ADE 0.9223
277 FW5 0.9222
278 XUL 0.9222
279 PPF 0.9222
280 10L 0.9220
281 DTU 0.9220
282 URA 0.9219
283 TEO 0.9218
284 A1U 0.9217
285 76X 0.9217
286 BNS 0.9217
287 1DU 0.9216
288 IT2 0.9215
289 P7I 0.9215
290 1AN 0.9215
291 7HP 0.9215
292 CYH 0.9215
293 S0H 0.9213
294 QDK 0.9212
295 HVQ 0.9211
296 2AF 0.9210
297 DUB 0.9205
298 UGC 0.9204
299 BVC 0.9203
300 PBC 0.9202
301 HT4 0.9202
302 ES6 0.9200
303 4CL 0.9199
304 9CL 0.9198
305 4JJ 0.9198
306 TTO 0.9197
307 KPL 0.9197
308 CAQ 0.9196
309 LEA 0.9195
310 FP2 0.9195
311 BU4 0.9194
312 CSS 0.9194
313 BTL 0.9193
314 XBT 0.9191
315 HLR 0.9191
316 4SV 0.9190
317 HYN 0.9190
318 HSM 0.9190
319 RIP 0.9189
320 2HE 0.9188
321 TZL 0.9187
322 ZBT 0.9187
323 DAS 0.9187
324 CRS 0.9186
325 3U4 0.9186
326 O7U 0.9185
327 KYD 0.9185
328 5FX 0.9185
329 9EW 0.9183
330 R8A 0.9182
331 JZ3 0.9182
332 40O 0.9180
333 IUR 0.9180
334 PCA 0.9180
335 AOA 0.9180
336 L60 0.9179
337 YCP 0.9177
338 CIZ 0.9177
339 FPI 0.9177
340 JZ2 0.9176
341 XYP 0.9174
342 7EX 0.9174
343 1MR 0.9172
344 FEH 0.9172
345 GOL 0.9172
346 PYJ 0.9171
347 RCO 0.9171
348 XYS 0.9169
349 HYP 0.9168
350 E60 0.9167
351 9HX 0.9167
352 HBA 0.9165
353 2EZ 0.9165
354 DTL 0.9162
355 MPD 0.9160
356 SNE 0.9160
357 LEU 0.9159
358 0RW 0.9158
359 RBL 0.9156
360 92Z 0.9155
361 HZP 0.9154
362 3SK 0.9153
363 YHO 0.9152
364 6X8 0.9151
365 R1X 0.9148
366 6M9 0.9148
367 PCT 0.9147
368 PAF 0.9147
369 BVG 0.9146
370 DCL 0.9143
371 MB3 0.9142
372 DFU 0.9142
373 JZ5 0.9142
374 SAT 0.9142
375 CYT 0.9141
376 5JC 0.9141
377 TLD 0.9141
378 7VD 0.9141
379 24T 0.9140
380 93B 0.9140
381 DMV 0.9140
382 UY7 0.9139
383 FBJ 0.9135
384 8LG 0.9135
385 JKE 0.9134
386 BAL 0.9133
387 F05 0.9132
388 SVN 0.9132
389 H3M 0.9130
390 TAU 0.9129
391 AZF 0.9128
392 34V 0.9126
393 IMR 0.9126
394 DUC 0.9125
395 ARB 0.9125
396 1DQ 0.9123
397 1WD 0.9120
398 HHN 0.9120
399 ORN 0.9118
400 QUZ 0.9116
401 PIH 0.9111
402 BTE 0.9111
403 AHR 0.9111
404 B24 0.9109
405 BR9 0.9108
406 0R0 0.9107
407 54D 0.9106
408 64K 0.9106
409 2RH 0.9105
410 ARA 0.9104
411 XIX 0.9103
412 3ZQ 0.9102
413 HIO 0.9102
414 JZ1 0.9101
415 284 0.9101
416 MWJ 0.9101
417 FUL 0.9100
418 IP0 0.9100
419 BAE 0.9098
420 2HA 0.9097
421 QOS 0.9097
422 NPY 0.9093
423 ISZ 0.9092
424 26D 0.9092
425 SKG 0.9091
426 POA 0.9091
427 MEU 0.9091
428 HPY 0.9090
429 TLA 0.9088
430 M1A 0.9086
431 GXV 0.9085
432 0MK 0.9083
433 BZX 0.9083
434 MZG 0.9083
435 ABV 0.9080
436 27Y 0.9079
437 7WV 0.9077
438 SRT 0.9076
439 FPY 0.9074
440 LG3 0.9073
441 ICF 0.9072
442 LG5 0.9071
443 94N 0.9070
444 JZ7 0.9069
445 BVF 0.9068
446 OXL 0.9062
447 3CH 0.9060
448 IDH 0.9059
449 TB6 0.9059
450 TAY 0.9058
451 PRI 0.9056
452 URP 0.9056
453 EGD 0.9056
454 SAR 0.9055
455 286 0.9055
456 8GF 0.9051
457 4DX 0.9050
458 3OH 0.9050
459 PGA 0.9050
460 LDU 0.9046
461 MMZ 0.9045
462 ODV 0.9044
463 I1E 0.9042
464 8NY 0.9042
465 DCD 0.9042
466 2CK 0.9041
467 MMU 0.9040
468 2DR 0.9040
469 HGW 0.9040
470 6AI 0.9039
471 BAQ 0.9039
472 HGQ 0.9038
473 2AS 0.9038
474 PAV 0.9037
475 DFB 0.9037
476 UYA 0.9033
477 1SP 0.9032
478 6M4 0.9032
479 67N 0.9031
480 OXD 0.9026
481 BP9 0.9023
482 BMD 0.9022
483 OXZ 0.9022
484 14O 0.9020
485 SEJ 0.9020
486 23A 0.9020
487 HSL 0.9020
488 270 0.9019
489 1LN 0.9019
490 MED 0.9017
491 OXM 0.9016
492 FUF 0.9015
493 Y8I 0.9014
494 ITU 0.9011
495 AX7 0.9011
496 1XX 0.9010
497 ISU 0.9009
498 L3Q 0.9009
499 NEQ 0.9007
500 H4N 0.9007
501 5H1 0.9007
502 2K4 0.9006
503 FUB 0.9004
504 HEW 0.8999
505 3GR 0.8998
506 4H2 0.8996
507 14J 0.8996
508 FCN 0.8995
509 5MB 0.8995
510 CFI 0.8993
511 AHB 0.8993
512 BHO 0.8993
513 F60 0.8991
514 FUC 0.8990
515 JAE 0.8990
516 6HQ 0.8990
517 BXO 0.8989
518 PEP 0.8989
519 P92 0.8988
520 FBA 0.8988
521 285 0.8985
522 5MI 0.8985
523 BSX 0.8984
524 HBS 0.8983
525 YTB 0.8982
526 NMJ 0.8981
527 JYD 0.8979
528 KMT 0.8979
529 261 0.8979
530 MTG 0.8977
531 2MI 0.8977
532 1WG 0.8975
533 M3T 0.8974
534 2XX 0.8972
535 4VP 0.8972
536 SGL 0.8968
537 KOJ 0.8968
538 XAP 0.8967
539 3XX 0.8967
540 DTI 0.8965
541 ALA 0.8964
542 AMT 0.8963
543 ATQ 0.8963
544 ICN 0.8962
545 5WV 0.8961
546 150 0.8960
547 FQI 0.8960
548 271 0.8957
549 F81 0.8954
550 53C 0.8953
551 OHG 0.8953
552 JZ0 0.8953
553 3NT 0.8953
554 1DJ 0.8952
555 KKN 0.8952
556 8H8 0.8952
557 BUQ 0.8951
558 B3R 0.8950
559 RIB 0.8950
560 2CQ 0.8949
561 EQT 0.8948
562 PEL 0.8947
563 4CS 0.8946
564 0V5 0.8943
565 PHB 0.8943
566 3AB 0.8942
567 PEQ 0.8941
568 F4Z 0.8939
569 7MH 0.8938
570 24B 0.8936
571 JIF 0.8936
572 MET 0.8935
573 OPE 0.8935
574 OK7 0.8935
575 1P3 0.8935
576 ES9 0.8933
577 RUU 0.8930
578 PZI 0.8930
579 CIG 0.8929
580 4JL 0.8928
581 4XR 0.8928
582 8EZ 0.8928
583 CXF 0.8926
584 JFD 0.8926
585 ADZ 0.8926
586 3HB 0.8926
587 GAB 0.8925
588 1CB 0.8925
589 NPO 0.8924
590 4AX 0.8923
591 11S 0.8919
592 ISN 0.8919
593 5HN 0.8919
594 FAN 0.8918
595 M6W 0.8918
596 PBE 0.8915
597 MZW 0.8914
598 45C 0.8914
599 9X6 0.8912
600 3BB 0.8911
601 OVV 0.8910
602 ES7 0.8910
603 FYU 0.8910
604 PEA 0.8909
605 DTT 0.8909
606 HY1 0.8908
607 P3K 0.8908
608 NAK 0.8908
609 HMU 0.8906
610 FSG 0.8904
611 JZ4 0.8903
612 WCE 0.8898
613 7W4 0.8897
614 RP7 0.8895
615 XM0 0.8895
616 MXN 0.8894
617 3MT 0.8893
618 3BZ 0.8891
619 BUO 0.8891
620 NSP 0.8890
621 HGY 0.8888
622 2LP 0.8887
623 1DW 0.8885
624 2CO 0.8884
625 ZZT 0.8884
626 FPK 0.8881
627 4XH 0.8880
628 5IQ 0.8880
629 5MP 0.8878
630 TMH 0.8878
631 32O 0.8877
632 FK1 0.8877
633 DMI 0.8876
634 GBL 0.8874
635 2TQ 0.8874
636 6SP 0.8873
637 5Q0 0.8871
638 1LQ 0.8870
639 HH8 0.8870
640 BUB 0.8869
641 AC6 0.8868
642 5SG 0.8868
643 SYG 0.8865
644 GUA 0.8863
645 4MZ 0.8863
646 PUT 0.8860
647 HHQ 0.8860
648 URQ 0.8859
649 FMS 0.8859
650 HBR 0.8858
651 8GC 0.8858
652 TC7 0.8858
653 ABE 0.8856
654 PAH 0.8855
655 MR3 0.8854
656 Z6J 0.8853
657 ES1 0.8853
658 RSO 0.8852
659 HQY 0.8851
660 DAL 0.8851
661 1SQ 0.8849
662 6F0 0.8849
663 1MZ 0.8849
664 TH7 0.8848
665 HX3 0.8847
666 PPR 0.8846
667 3TR 0.8846
668 2MZ 0.8844
669 PTO 0.8842
670 AUD 0.8842
671 HMH 0.8841
672 MSF 0.8841
673 4JM 0.8840
674 3ZS 0.8838
675 C2B 0.8837
676 MNN 0.8837
677 25W 0.8836
678 D2P 0.8835
679 HOW 0.8835
680 Z82 0.8835
681 GLY ALA 0.8834
682 MNM 0.8832
683 N5J 0.8831
684 TNE 0.8830
685 FCA 0.8830
686 1NP 0.8829
687 TIU 0.8827
688 C2A 0.8824
689 13P 0.8824
690 SLP 0.8823
691 CEE 0.8822
692 JZ6 0.8820
693 7B4 0.8820
694 GRE 0.8819
695 3V4 0.8819
696 PBZ 0.8818
697 BRT 0.8818
698 SVJ 0.8818
699 JPZ 0.8815
700 4YS 0.8815
701 5KX 0.8815
702 5M0 0.8814
703 FBV 0.8813
704 3Q7 0.8812
705 DMJ 0.8811
706 F5B 0.8810
707 BCP 0.8809
708 2AI 0.8809
709 3SL 0.8809
710 LRH 0.8808
711 H8N 0.8806
712 6M1 0.8806
713 PMB 0.8805
714 1Y6 0.8805
715 NCM 0.8804
716 6UA 0.8804
717 BDR 0.8804
718 ETF 0.8802
719 XPO 0.8802
720 5NU 0.8801
721 P72 0.8800
722 GYE 0.8799
723 FB2 0.8799
724 RNS 0.8799
725 260 0.8799
726 PAB 0.8798
727 FBM 0.8797
728 826 0.8796
729 HBD 0.8796
730 SPA 0.8795
731 IFL 0.8793
732 PYM 0.8790
733 2ZV 0.8789
734 5RG 0.8788
735 RHU 0.8788
736 SC2 0.8787
737 GLU 0.8786
738 FAC 0.8785
739 717 0.8785
740 54G 0.8785
741 4MA 0.8782
742 82I 0.8782
743 NOY 0.8779
744 1DV 0.8776
745 6CS 0.8775
746 NOJ 0.8775
747 5MK 0.8772
748 13X 0.8771
749 XRG 0.8770
750 T6C 0.8770
751 PPV 0.8769
752 5Y9 0.8766
753 T9G 0.8765
754 LCN 0.8765
755 3OC 0.8764
756 CFP 0.8764
757 3AY 0.8763
758 BOA 0.8763
759 BYZ 0.8762
760 G2F 0.8762
761 1GP 0.8761
762 2PN 0.8761
763 ES0 0.8760
764 3ID 0.8758
765 BR8 0.8757
766 SW7 0.8757
767 DBH 0.8755
768 ASO 0.8755
769 GTQ 0.8754
770 NIZ 0.8753
771 B20 0.8753
772 Q88 0.8752
773 DMD 0.8751
774 174 0.8751
775 AX2 0.8751
776 3M0 0.8749
777 7N0 0.8748
778 G3P 0.8747
779 MSE 0.8747
780 ES3 0.8747
781 H76 0.8745
782 24W 0.8743
783 HSO 0.8742
784 5CU 0.8738
785 AGK 0.8737
786 3F0 0.8736
787 AZA 0.8736
788 B53 0.8736
789 MFB 0.8733
790 MZY 0.8733
791 CWM 0.8731
792 NIS 0.8731
793 GLN 0.8728
794 7WG 0.8728
795 3SY 0.8726
796 GIF 0.8724
797 GLC 0.8724
798 OEM 0.8720
799 ARW 0.8720
800 4NC 0.8716
801 GUN 0.8715
802 HH5 0.8714
803 RAM 0.8714
804 FB1 0.8713
805 WDL 0.8712
806 3HA 0.8710
807 DX4 0.8709
808 F9P 0.8708
809 4PW 0.8708
810 XQ0 0.8706
811 G6D 0.8702
812 ACH 0.8700
813 XAN 0.8700
814 3DM 0.8699
815 9DG 0.8697
816 MTD 0.8695
817 TBP 0.8692
818 ETM 0.8690
819 SPV 0.8688
820 PYZ 0.8679
821 GLL 0.8678
822 FA0 0.8674
823 MEV 0.8671
824 XXR 0.8669
825 4SD 0.8663
826 DOB 0.8661
827 2ZX 0.8656
828 POP 0.8656
829 LLQ 0.8653
830 3RK 0.8650
831 XX2 0.8650
832 TZZ 0.8647
833 PIS 0.8645
834 MYJ 0.8644
835 4M0 0.8644
836 TF4 0.8644
837 DHB 0.8640
838 P9P 0.8638
839 MAN 0.8635
840 I3A 0.8634
841 MUC 0.8632
842 BHA 0.8631
843 9TZ 0.8626
844 PKU 0.8624
845 HHA 0.8618
846 EXO 0.8617
847 7HQ 0.8610
848 IZC 0.8608
849 TFS 0.8603
850 AKG 0.8594
851 RMN 0.8540
852 HLT 0.8512
Ligand no: 2; Ligand: PMP; Similar ligands found: 792
No: Ligand Similarity coefficient
1 ADN 1.0000
2 X04 0.9756
3 G6P 0.9676
4 BG6 0.9520
5 4R1 0.9517
6 GLP 0.9504
7 M6P 0.9462
8 N2M 0.9422
9 1QV 0.9397
10 L21 0.9393
11 5WN 0.9388
12 ZEC 0.9388
13 3LJ 0.9385
14 68A 0.9333
15 6HP 0.9327
16 5TY 0.9326
17 A6P 0.9296
18 5OO 0.9265
19 QIF 0.9263
20 STT 0.9257
21 BGP 0.9231
22 F5C 0.9221
23 CFA 0.9219
24 F1P 0.9215
25 GXG 0.9202
26 EUE 0.9195
27 ZIP 0.9194
28 A5P 0.9192
29 2VQ 0.9185
30 F1X 0.9183
31 D6G 0.9177
32 NQH 0.9168
33 FT6 0.9166
34 YF3 0.9165
35 SYE 0.9160
36 HSX 0.9158
37 SG2 0.9151
38 QMS 0.9148
39 SBK 0.9147
40 4OG 0.9146
41 NAG 0.9146
42 RGG 0.9139
43 LOT 0.9138
44 96Z 0.9138
45 NBV 0.9138
46 GI4 0.9137
47 QUB 0.9135
48 ARP 0.9134
49 GI1 0.9131
50 H4B 0.9131
51 M6D 0.9129
52 ABF 0.9128
53 1VQ 0.9128
54 27B 0.9127
55 GI3 0.9127
56 657 0.9124
57 APS 0.9123
58 MQG 0.9121
59 M3Q 0.9121
60 O2Y 0.9120
61 GJP 0.9120
62 V1T 0.9119
63 EVF 0.9118
64 TRP 0.9112
65 EXL 0.9112
66 P2L 0.9110
67 F52 0.9107
68 2GQ 0.9105
69 SKF 0.9105
70 F6P 0.9102
71 IPD 0.9101
72 CGW 0.9101
73 CTE 0.9100
74 I4D 0.9098
75 GZV 0.9096
76 GB4 0.9095
77 MBP 0.9095
78 IOS 0.9095
79 FUZ 0.9093
80 4KR 0.9091
81 2K8 0.9091
82 FER 0.9087
83 HBI 0.9083
84 ENG 0.9081
85 3Y7 0.9078
86 H2B 0.9078
87 S0E 0.9072
88 3M8 0.9072
89 P9E 0.9068
90 4AB 0.9066
91 LTN 0.9066
92 9F8 0.9065
93 IOP 0.9064
94 SG6 0.9064
95 DY5 0.9061
96 NOK 0.9061
97 1HN 0.9059
98 3VX 0.9058
99 TU0 0.9056
100 X0T 0.9054
101 CMU 0.9053
102 FWD 0.9053
103 HA6 0.9050
104 2HC 0.9050
105 6QF 0.9050
106 CPW 0.9049
107 ZON 0.9048
108 NIY 0.9047
109 ZHA 0.9046
110 S7G 0.9045
111 57O 0.9045
112 ANC 0.9043
113 3R4 0.9043
114 GDL 0.9042
115 NFM 0.9038
116 IL5 0.9035
117 4RU 0.9035
118 MPP 0.9035
119 GNM 0.9035
120 9E3 0.9033
121 PVQ 0.9033
122 790 0.9033
123 8MP 0.9031
124 BY5 0.9030
125 1BW 0.9029
126 HHS 0.9028
127 5GT 0.9027
128 MD6 0.9026
129 HWD 0.9024
130 E9S 0.9024
131 PVK 0.9023
132 N91 0.9022
133 KYN 0.9018
134 51Y 0.9017
135 THA 0.9017
136 AKD 0.9017
137 0FR 0.9016
138 52F 0.9015
139 BIO 0.9014
140 HBO 0.9011
141 DHC 0.9011
142 T6Z 0.9009
143 D1Y 0.9007
144 3IL 0.9006
145 3JM 0.9005
146 AC2 0.9005
147 KLV 0.9004
148 F06 0.9004
149 AJD 0.9004
150 AMR 0.9004
151 DTE 0.9003
152 NTF 0.9003
153 MFZ 0.9002
154 MAJ 0.9000
155 B61 0.9000
156 0J4 0.8995
157 GC2 0.8995
158 9BF 0.8993
159 KMY 0.8992
160 0J5 0.8991
161 XIF XYP 0.8990
162 XYP XIF 0.8990
163 TA6 0.8989
164 6FB 0.8987
165 CHQ 0.8986
166 P9T 0.8985
167 EV2 0.8984
168 6Q3 0.8983
169 NPA 0.8983
170 5WM 0.8983
171 RVE 0.8982
172 GA2 0.8980
173 I59 0.8978
174 61M 0.8977
175 YO5 0.8976
176 TOM 0.8976
177 I2E 0.8975
178 CX4 0.8971
179 15N 0.8971
180 LIP 0.8970
181 TB8 0.8970
182 M5H 0.8969
183 7AP 0.8969
184 STV 0.8969
185 NAL 0.8967
186 363 0.8966
187 ONZ 0.8966
188 505 0.8965
189 ANF 0.8965
190 P7Y 0.8964
191 6KT 0.8964
192 3J8 0.8962
193 XCG 0.8957
194 Q5M 0.8957
195 IAC 0.8957
196 BHS 0.8956
197 XFE 0.8955
198 4WF 0.8954
199 ALX 0.8952
200 EUH 0.8952
201 BNX 0.8952
202 ITW 0.8950
203 SLS 0.8950
204 3B4 0.8948
205 S0G 0.8945
206 2JK 0.8944
207 ST2 0.8944
208 MUX 0.8943
209 4Z9 0.8942
210 CLU 0.8942
211 2CZ 0.8942
212 AA 0.8941
213 YX1 0.8940
214 STZ 0.8940
215 TSR 0.8939
216 ZEZ 0.8939
217 JYT 0.8938
218 A7H 0.8937
219 TNX 0.8936
220 TMG 0.8936
221 OUB 0.8936
222 ESX 0.8935
223 CWD 0.8935
224 GFP 0.8935
225 UQ1 0.8935
226 4I8 0.8934
227 X0U 0.8934
228 NFK 0.8933
229 2JX 0.8931
230 7SX 0.8930
231 DNA 0.8930
232 JBZ 0.8930
233 N1E 0.8930
234 89J 0.8930
235 A5Q 0.8928
236 3D8 0.8928
237 3RI 0.8928
238 AN3 0.8927
239 2O6 0.8925
240 K25 0.8925
241 GO8 0.8924
242 9ZE 0.8922
243 OSB 0.8921
244 0OK 0.8919
245 ZSP 0.8919
246 BQ2 0.8918
247 6J5 0.8918
248 EYV 0.8914
249 E1T 0.8914
250 DTR 0.8914
251 BWD 0.8913
252 X1P 0.8913
253 7PJ 0.8912
254 B41 0.8910
255 A4V 0.8910
256 YKG 0.8909
257 TZP 0.8908
258 NPS 0.8906
259 N0Z 0.8906
260 OQC 0.8906
261 JP2 0.8905
262 22T 0.8904
263 H35 0.8904
264 F40 0.8903
265 KG1 0.8901
266 JY2 0.8901
267 RSV 0.8900
268 KTW 0.8900
269 EXD 0.8899
270 WV7 0.8898
271 S8A 0.8897
272 5WS 0.8895
273 3IB 0.8895
274 QIV 0.8893
275 JXK 0.8893
276 Z25 0.8891
277 ALN 0.8890
278 D9Z 0.8889
279 GO2 0.8889
280 NEU 0.8887
281 878 0.8887
282 PE2 0.8886
283 0FK 0.8886
284 4CM 0.8886
285 M9N 0.8885
286 EXR 0.8885
287 54E 0.8884
288 NHT 0.8884
289 12T 0.8882
290 HPT 0.8881
291 PMM 0.8881
292 F34 0.8880
293 G1P 0.8880
294 4GP 0.8880
295 KF5 0.8880
296 K3Q 0.8879
297 5V7 0.8878
298 M02 0.8878
299 NDG 0.8877
300 327 0.8877
301 8D6 0.8876
302 MTS 0.8876
303 0JD 0.8875
304 54X 0.8873
305 ESP 0.8872
306 KP2 0.8870
307 4Z1 0.8868
308 3SU 0.8868
309 X48 0.8868
310 B56 0.8865
311 SJK 0.8864
312 MUR 0.8863
313 344 0.8862
314 FQX 0.8862
315 ESI 0.8861
316 FF2 0.8861
317 GJK 0.8861
318 KYA 0.8861
319 FPL 0.8860
320 PTS 0.8859
321 6ZX 0.8858
322 HNT 0.8857
323 8HC 0.8857
324 PW1 0.8857
325 IBC 0.8855
326 H5B 0.8855
327 CC5 0.8853
328 CG8 0.8853
329 PH2 0.8852
330 FNA 0.8851
331 9R5 0.8850
332 EYJ 0.8849
333 1FE 0.8849
334 MJ5 0.8848
335 F6R 0.8848
336 4BY 0.8847
337 CR1 0.8847
338 6DP 0.8845
339 JGB 0.8845
340 IWD 0.8844
341 ZYQ 0.8843
342 VUP 0.8843
343 R9Y 0.8841
344 DRG 0.8841
345 D8Q 0.8840
346 LZB 0.8840
347 K97 0.8839
348 EYY 0.8838
349 Y3L 0.8836
350 EZL 0.8836
351 M78 0.8836
352 3GC 0.8836
353 ZIQ 0.8835
354 YOF 0.8834
355 2LT 0.8832
356 2J1 0.8831
357 4NZ 0.8831
358 BEU 0.8831
359 ALE 0.8830
360 YZ9 0.8829
361 Q9P 0.8828
362 5O6 0.8828
363 R5P 0.8828
364 R52 0.8828
365 S3C 0.8827
366 JVA 0.8827
367 N7I 0.8827
368 Z21 0.8824
369 TCR 0.8823
370 ITE 0.8823
371 BZJ 0.8822
372 NLA 0.8822
373 JXT 0.8822
374 2FX 0.8822
375 C9E 0.8822
376 DAH 0.8821
377 ZEA 0.8819
378 4NP 0.8819
379 BGU 0.8818
380 8XL 0.8818
381 8W9 0.8818
382 BGN 0.8818
383 5RP 0.8817
384 NGT 0.8816
385 DXK 0.8816
386 LTM 0.8816
387 5WU 0.8815
388 6DQ 0.8814
389 P4L 0.8814
390 S24 0.8813
391 BIE 0.8813
392 K7H 0.8812
393 PRL 0.8812
394 B52 0.8811
395 NPX 0.8811
396 MXD 0.8810
397 78U 0.8810
398 MPU 0.8810
399 KED 0.8809
400 3D1 0.8809
401 C0W 0.8809
402 3ZB 0.8809
403 LP8 0.8809
404 AVO 0.8808
405 JG8 0.8808
406 JF2 0.8807
407 2KU 0.8806
408 LLG 0.8806
409 56N 0.8805
410 CH8 0.8805
411 HQ6 0.8804
412 C53 0.8804
413 EAE 0.8804
414 22L 0.8804
415 5NN 0.8803
416 UNJ 0.8803
417 S60 0.8803
418 B21 0.8803
419 BPY 0.8800
420 DY8 0.8800
421 OIA 0.8800
422 4FE 0.8799
423 4BL 0.8798
424 HHR 0.8796
425 RP5 0.8795
426 MIG 0.8794
427 5WT 0.8794
428 NGA 0.8793
429 GRF 0.8793
430 7MX 0.8793
431 12R 0.8792
432 4BX 0.8792
433 PYU 0.8792
434 GTV 0.8792
435 JHY 0.8791
436 EV3 0.8790
437 HJB 0.8790
438 K82 0.8789
439 M3F 0.8789
440 537 0.8788
441 535 0.8787
442 0W1 0.8786
443 GXD 0.8785
444 8RK 0.8785
445 HRM 0.8784
446 7L4 0.8783
447 S0W 0.8783
448 P81 0.8783
449 HHV 0.8783
450 MFR 0.8783
451 CP7 0.8782
452 5OF 0.8781
453 AZY 0.8780
454 A7K 0.8780
455 HC4 0.8779
456 GRX 0.8779
457 B23 0.8778
458 NEO 0.8776
459 RNK 0.8775
460 3GX 0.8773
461 5AD 0.8773
462 B5A 0.8772
463 9H2 0.8771
464 3VS 0.8770
465 67Y 0.8770
466 DDU 0.8770
467 DBS 0.8769
468 EQA 0.8769
469 6J9 0.8769
470 CLZ 0.8769
471 OPA 0.8768
472 BP7 0.8768
473 2P3 0.8767
474 6ZW 0.8767
475 A1Y 0.8764
476 NWD 0.8763
477 XYP XYP 0.8763
478 MUK 0.8762
479 CKX 0.8762
480 OX2 0.8761
481 9FH 0.8761
482 Y0V 0.8761
483 AWE 0.8761
484 PRZ 0.8759
485 5E5 0.8759
486 L46 0.8759
487 AY4 0.8759
488 2LX 0.8759
489 5E4 0.8758
490 GNG 0.8758
491 OTA 0.8758
492 AXX 0.8757
493 ZYR 0.8757
494 SNY 0.8757
495 JF1 0.8756
496 BM3 0.8756
497 9KZ 0.8755
498 3QV 0.8755
499 4KL 0.8754
500 GPM 0.8754
501 B2Y 0.8753
502 T1N 0.8753
503 TOH 0.8753
504 DK1 0.8751
505 3AK 0.8751
506 4CN 0.8751
507 RP3 0.8750
508 IS2 0.8748
509 MW5 0.8747
510 JPQ 0.8747
511 8U3 0.8746
512 EXG 0.8746
513 8MO 0.8746
514 HHT 0.8745
515 HA5 0.8745
516 GC3 0.8745
517 D87 0.8744
518 NBG 0.8743
519 0SY 0.8743
520 K68 0.8742
521 7I2 0.8741
522 TXW 0.8741
523 MMS 0.8741
524 SXX 0.8740
525 GL6 0.8739
526 HPP 0.8739
527 PPY 0.8738
528 AHC 0.8738
529 3L1 0.8737
530 EYA 0.8737
531 FCW 0.8737
532 JF8 0.8736
533 428 0.8736
534 CL9 0.8736
535 848 0.8735
536 L07 0.8735
537 1F1 0.8735
538 LOG 0.8734
539 TYR 0.8734
540 92P 0.8733
541 9UL 0.8733
542 3DT 0.8733
543 CP6 0.8732
544 BHQ 0.8731
545 ZRK 0.8730
546 H4B NO 0.8730
547 NGW 0.8729
548 JTA 0.8728
549 CKU 0.8728
550 3N1 0.8727
551 COL 0.8727
552 GP1 0.8727
553 AYS 0.8726
554 CG 0.8724
555 DPT 0.8724
556 BZ2 0.8724
557 2L3 0.8724
558 5GV 0.8723
559 LL1 0.8723
560 XI7 0.8723
561 TLM 0.8723
562 36E 0.8722
563 DJN 0.8722
564 B4O 0.8719
565 DX7 0.8718
566 PIQ 0.8718
567 SLY 0.8718
568 5LA 0.8715
569 DTY 0.8712
570 PNP 0.8712
571 92O 0.8712
572 4NS 0.8711
573 AZM 0.8711
574 8Y7 0.8710
575 5P3 0.8710
576 5F1 0.8709
577 8NX 0.8707
578 E1K 0.8706
579 DBQ 0.8704
580 1SV 0.8704
581 0UL 0.8704
582 3WJ 0.8703
583 7EH 0.8703
584 QUS 0.8703
585 BC3 0.8701
586 W23 0.8701
587 J6W 0.8701
588 CKA 0.8700
589 1VK 0.8700
590 ET0 0.8699
591 TSS 0.8699
592 IFG 0.8698
593 PUE 0.8697
594 IYR 0.8694
595 FDR 0.8692
596 AU8 0.8691
597 ZME 0.8691
598 1A7 0.8689
599 977 0.8689
600 ENO 0.8689
601 UFO 0.8688
602 9GP 0.8688
603 ZYV 0.8687
604 BA5 0.8687
605 1SS 0.8685
606 ICB 0.8685
607 KWB 0.8684
608 CNI 0.8683
609 FZM 0.8682
610 3JC 0.8682
611 THM 0.8681
612 S0D 0.8681
613 LJ4 0.8681
614 57D 0.8681
615 TZM 0.8680
616 IQZ 0.8679
617 LVD 0.8678
618 AMQ 0.8678
619 AVX 0.8677
620 LR2 0.8677
621 0DF 0.8677
622 ELH 0.8677
623 CX6 0.8676
624 5VU 0.8675
625 ZZZ 0.8675
626 GNR 0.8675
627 MPK 0.8673
628 XQI 0.8673
629 55D 0.8673
630 109 0.8672
631 CSN 0.8671
632 0HN 0.8670
633 RNO 0.8669
634 QME 0.8667
635 CKI 0.8666
636 JAW 0.8666
637 5NS 0.8665
638 4MB 0.8664
639 JDN 0.8663
640 IBM 0.8661
641 16G 0.8661
642 833 0.8661
643 549 0.8661
644 GF1 0.8660
645 PFF 0.8660
646 AM4 0.8660
647 CXH 0.8658
648 TYC 0.8658
649 NRA 0.8658
650 TLG 0.8657
651 2SK 0.8657
652 IQ5 0.8653
653 LR5 0.8652
654 OA4 0.8651
655 YE7 0.8651
656 AAN 0.8648
657 8VR 0.8648
658 PJW 0.8647
659 DT7 0.8647
660 JOV 0.8647
661 3IP 0.8646
662 MOK 0.8646
663 2F8 0.8646
664 A2G 0.8646
665 C4E 0.8645
666 8ZE 0.8643
667 NCV 0.8643
668 SNO 0.8642
669 P80 0.8641
670 M4E 0.8641
671 DDC 0.8640
672 CIY 0.8640
673 N2I 0.8639
674 9FL 0.8639
675 AX3 0.8639
676 RUG 0.8638
677 SQP 0.8637
678 RE4 0.8636
679 NGS 0.8634
680 X11 0.8633
681 96R 0.8632
682 QQQ 0.8632
683 BK9 0.8631
684 GSY 0.8629
685 NKI 0.8629
686 3WK 0.8627
687 CUH 0.8625
688 L8J 0.8625
689 49O 0.8625
690 L3L 0.8624
691 5GL 0.8622
692 A5E 0.8621
693 6FZ 0.8620
694 7M5 0.8619
695 LJ3 0.8618
696 JV4 0.8617
697 NYJ 0.8616
698 3A9 0.8615
699 JTH 0.8614
700 8OB 0.8614
701 DUR 0.8614
702 AJ1 0.8613
703 0K7 0.8613
704 TL6 0.8611
705 JA5 0.8611
706 4TP 0.8611
707 JCZ 0.8610
708 YTX 0.8606
709 1PS 0.8605
710 6NT 0.8605
711 0HO 0.8604
712 ST3 0.8604
713 92G 0.8604
714 4NR 0.8604
715 LSQ 0.8604
716 2UZ 0.8604
717 0GA 0.8603
718 K37 0.8603
719 TJM 0.8602
720 QZ8 0.8601
721 1L5 0.8601
722 C82 0.8600
723 78Y 0.8600
724 8NB 0.8599
725 PA5 0.8599
726 X2M 0.8598
727 5B2 0.8597
728 G14 0.8597
729 WS7 0.8596
730 2ZM 0.8595
731 2KA 0.8595
732 FYR 0.8595
733 27K 0.8595
734 6HO 0.8595
735 6ME 0.8593
736 TWB 0.8593
737 1V4 0.8592
738 JR2 0.8592
739 L1T 0.8590
740 7D7 0.8589
741 RYV 0.8585
742 C09 0.8585
743 WLH 0.8585
744 86L 0.8584
745 SRO 0.8582
746 1V3 0.8582
747 F69 0.8582
748 HJH 0.8582
749 PRF 0.8582
750 GNY 0.8580
751 DX2 0.8579
752 IPT 0.8579
753 A6H 0.8579
754 FBF 0.8577
755 7QY 0.8576
756 MNS 0.8574
757 VM1 0.8572
758 39Z 0.8571
759 N4E 0.8571
760 4BF 0.8571
761 BP3 0.8568
762 7M2 0.8566
763 TGX 0.8565
764 9JT 0.8565
765 3VW 0.8565
766 BBK 0.8565
767 Q0K 0.8562
768 6NI 0.8560
769 0LH 0.8560
770 YZM 0.8558
771 512 0.8556
772 WSD 0.8555
773 ETS 0.8555
774 E7S 0.8554
775 IBP 0.8552
776 EST 0.8552
777 XRS 0.8551
778 2QU 0.8550
779 LO1 0.8549
780 774 0.8549
781 IQW 0.8549
782 HO6 0.8540
783 LWS 0.8538
784 LZ2 0.8536
785 6L6 0.8532
786 ZRL 0.8532
787 E4P 0.8529
788 1HR 0.8528
789 2J2 0.8527
790 BZQ 0.8519
791 GVY 0.8519
792 XEN 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I60; Ligand: 67W; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5i60.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6XU3 PLP 24.3902
2 6XU3 PLP 24.3902
Pocket No.: 2; Query (leader) PDB : 5I60; Ligand: 67W; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5i60.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6XU3 PLP 24.3902
2 6XU3 PLP 24.3902
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