Receptor
PDB id Resolution Class Description Source Keywords
1PCA 2 Å EC: 3.4.12.2 THREE DIMENSIONAL STRUCTURE OF PORCINE PANCREATIC PROCARBOXYPEPTIDASE A. A COMPARISON OF THE A AND B Z YMOGENS AND THEIR DETERMINANTS FOR INHIBITION AND AC TIVATION SUS SCROFA HYDROLASE(C-TERMINAL PEPTIDASE)
Ref.: THREE-DIMENSIONAL STRUCTURE OF PORCINE PANCREATIC PROCARBOXYPEPTIDASE A. A COMPARISON OF THE A AND B ZYMOGENS AND THEIR DETERMINANTS FOR INHIBITION AND ACTIVATION. J.MOL.BIOL. V. 224 141 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:600;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
VAL A:700;
Valid;
none;
submit data
117.146 C5 H11 N O2 CC(C)...
ZN A:400;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PCA 2 Å EC: 3.4.12.2 THREE DIMENSIONAL STRUCTURE OF PORCINE PANCREATIC PROCARBOXYPEPTIDASE A. A COMPARISON OF THE A AND B Z YMOGENS AND THEIR DETERMINANTS FOR INHIBITION AND AC TIVATION SUS SCROFA HYDROLASE(C-TERMINAL PEPTIDASE)
Ref.: THREE-DIMENSIONAL STRUCTURE OF PORCINE PANCREATIC PROCARBOXYPEPTIDASE A. A COMPARISON OF THE A AND B ZYMOGENS AND THEIR DETERMINANTS FOR INHIBITION AND ACTIVATION. J.MOL.BIOL. V. 224 141 1992
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CPA - GLY TYR n/a n/a
2 1F57 Ki = 2.3 uM DCY C3 H7 N O2 S C([C@H](C(....
3 1CPS Ki = 0.22 uM CPM C11 H16 N2 O2 S CS(=N)(=N)....
4 2CTC Ki = 0.13 mM HFA C9 H10 O3 c1ccc(cc1)....
5 2RFH Ki = 0.15 uM 23N C10 H11 N O4 c1ccc(cc1)....
6 1HDQ Ki = 1.5 uM INF C10 H12 N2 O4 c1ccc(cc1)....
7 1IY7 Ki = 0.64 uM CXA C9 H12 N2 O4 S c1ccc(cc1)....
8 3FX6 Ki = 0.16 uM BPX C12 H15 N O6 c1ccc(cc1)....
9 8CPA Ki = 710 pM AGF C21 H25 N2 O8 P C[C@@H](C(....
10 1HEE Ki = 4.6 uM LHY C10 H12 N2 O4 c1ccc(cc1)....
11 1HDU Ki = 19 uM ING C10 H12 N2 O3 c1ccc(cc1)....
12 7CPA Ki = 11 fM FVF C30 H35 N2 O8 P CC(C)[C@H]....
13 6CPA Ki = 3 pM ZAF C22 H27 N2 O8 P C[C@@H](C(....
14 1CBX Ki = 0.45 uM BZS C11 H12 O4 c1ccc(cc1)....
15 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
16 2PCU - PHE ASN ARG PRO VAL n/a n/a
17 2V77 Ki = 8.7 uM PAY C12 H18 O8 C[C@@H](C[....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 1NSA - BEN C7 H8 N2 [H]/N=C(c1....
2 4UIB ic50 = 0.001 uM GWX C26 H46 N4 O4 C[C@@]12CC....
3 2PIZ ic50 = 170 nM 606 C19 H24 N3 O4 P [H]/N=C(/N....
4 5LRG - 73N DLY VAL 73O MAA PHE n/a n/a
5 1ZG7 - P20 C10 H12 Cl N3 O2 S c1cc(c(cc1....
6 2PJ4 ic50 = 13 nM 414 C24 H31 N4 O7 P [H]/N=C(/N....
7 2PJ8 ic50 = 18 nM 17A C26 H31 N2 O6 P S CC(C)[C@H]....
8 4UIA ic50 = 0.19 uM FH9 C21 H40 N4 O4 CC(C)CCNC(....
9 2PJ9 ic50 = 12 nM 281 C20 H25 N4 O6 P S2 CC(C)[C@H]....
10 1ZG9 - L06 C7 H15 N3 O2 S C(C[C@@H](....
11 2JEW Ki = 206 nM 720 C12 H21 N3 O2 CCCn1cc(nc....
12 2PJ5 ic50 = 15 nM 11B C23 H31 N4 O7 P [H]/N=C(/N....
13 3WC5 - DDK C8 H17 N O2 Se C(CC[C@@H]....
14 2PJC ic50 = 1.9 nM 343 C30 H36 N5 O9 P [H]/N=C(/N....
15 2PJA ic50 = 2.2 nM 33Z C31 H38 N5 O7 P [H]/N=C(/N....
16 1ZG8 - L98 C10 H13 N3 O2 S c1cc(cc(c1....
17 3WC7 - EF1 C21 H35 N2 O5 P CC(C)[C@H]....
18 2PJ2 ic50 = 12 nM 864 C22 H29 N2 O6 P CC(C)[C@H]....
19 5LRK - 73N DLY IIL 73O MAA PHE n/a n/a
20 2PJ3 ic50 = 6.6 nM 86A C22 H29 N4 O6 P [H]/N=C(/N....
21 2PIY ic50 = 20 nM 528 C23 H33 N2 O6 P S CC(C)[C@H]....
22 2PJ0 ic50 = 8.1 nM 922 C21 H27 N4 O7 P [H]/N=C(/N....
23 3WAB - DDW C8 H17 N O2 S C(CC[C@@H]....
24 2PJB ic50 = 19 nM 983 C31 H40 N3 O8 P S CC(C)[C@H]....
25 2PJ1 ic50 = 9.7 nM 578 C21 H27 N2 O7 P CC(C)[C@H]....
26 5LRJ - 73P DLY VAL 73O MAA PHE n/a n/a
27 2PJ6 ic50 = 49 nM 059 C22 H31 N2 O6 P S CC(C)[C@H]....
28 5ZEQ - 9B3 C9 H11 Cl N2 O2 Se c1c(cnc(c1....
29 2PJ7 ic50 = 17 nM 235 C20 H27 N2 O6 P S CC(C)[C@H]....
30 3CPA - GLY TYR n/a n/a
31 1F57 Ki = 2.3 uM DCY C3 H7 N O2 S C([C@H](C(....
32 1CPS Ki = 0.22 uM CPM C11 H16 N2 O2 S CS(=N)(=N)....
33 2CTC Ki = 0.13 mM HFA C9 H10 O3 c1ccc(cc1)....
34 2RFH Ki = 0.15 uM 23N C10 H11 N O4 c1ccc(cc1)....
35 1HDQ Ki = 1.5 uM INF C10 H12 N2 O4 c1ccc(cc1)....
36 1IY7 Ki = 0.64 uM CXA C9 H12 N2 O4 S c1ccc(cc1)....
37 3FX6 Ki = 0.16 uM BPX C12 H15 N O6 c1ccc(cc1)....
38 8CPA Ki = 710 pM AGF C21 H25 N2 O8 P C[C@@H](C(....
39 1HEE Ki = 4.6 uM LHY C10 H12 N2 O4 c1ccc(cc1)....
40 1HDU Ki = 19 uM ING C10 H12 N2 O3 c1ccc(cc1)....
41 7CPA Ki = 11 fM FVF C30 H35 N2 O8 P CC(C)[C@H]....
42 6CPA Ki = 3 pM ZAF C22 H27 N2 O8 P C[C@@H](C(....
43 1CBX Ki = 0.45 uM BZS C11 H12 O4 c1ccc(cc1)....
44 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
45 4P10 - 2B8 C14 H23 N3 O2 CCCn1cnc2c....
46 2PCU - PHE ASN ARG PRO VAL n/a n/a
47 2V77 Ki = 8.7 uM PAY C12 H18 O8 C[C@@H](C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: VAL; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL 1 1
2 SKG 0.666667 0.944444
3 THR 0.65 0.714286
4 ALO 0.65 0.714286
5 DAL 0.611111 0.882353
6 ALA 0.611111 0.882353
7 ILE 0.565217 0.727273
8 HGY 0.473684 0.608696
9 SKJ 0.464286 0.666667
10 AKB 0.454545 0.681818
11 DBB 0.454545 0.681818
12 ABA 0.454545 0.681818
13 LEU 0.44 0.772727
14 CDV 0.407407 0.607143
Similar Ligands (3D)
Ligand no: 1; Ligand: CIT; Similar ligands found: 1030
No: Ligand Similarity coefficient
1 FLC 1.0000
2 PEP 1.0000
3 NTC 0.9827
4 7A2 0.9729
5 7A3 0.9710
6 TRC 0.9632
7 ICT 0.9604
8 NCD 0.9568
9 1AL 0.9557
10 TRA 0.9465
11 GLY LEU 0.9431
12 ENL 0.9421
13 P4B 0.9413
14 EKN 0.9407
15 AN0 0.9405
16 4TE 0.9372
17 NFQ 0.9367
18 GLY ASP 0.9365
19 ATH 0.9359
20 3S4 0.9303
21 0FA 0.9302
22 HCT 0.9298
23 GBN 0.9289
24 NLQ 0.9287
25 NQM 0.9280
26 XQB 0.9278
27 CAX 0.9276
28 NLG 0.9268
29 JKZ 0.9254
30 AKH 0.9252
31 MIC 0.9251
32 AOR 0.9244
33 5UK 0.9243
34 AVI 0.9237
35 5XB 0.9229
36 IPM 0.9222
37 5XR 0.9215
38 CCB 0.9212
39 PHT 0.9208
40 GJS 0.9195
41 IJZ 0.9193
42 Q6T 0.9189
43 AVJ 0.9180
44 VPR 0.9176
45 C5A 0.9170
46 OTD 0.9170
47 GM7 0.9167
48 87L 0.9166
49 2CG 0.9164
50 KAI 0.9162
51 449 0.9160
52 DII 0.9156
53 FOT 0.9156
54 256 0.9150
55 FBG 0.9150
56 J01 0.9145
57 HMQ 0.9139
58 NIG 0.9130
59 TEN 0.9130
60 NTM 0.9127
61 R9S 0.9118
62 H6B 0.9116
63 CDV 0.9112
64 PRZ 0.9112
65 8WQ 0.9110
66 2AL 0.9109
67 40F 0.9109
68 42C 0.9107
69 791 0.9106
70 HLD 0.9105
71 0GZ 0.9105
72 HJP 0.9105
73 AME 0.9104
74 0F9 0.9103
75 OIA 0.9103
76 V6F 0.9103
77 ONR 0.9101
78 ALA LEU 0.9100
79 OMD 0.9100
80 HQ9 0.9100
81 DMO 0.9096
82 CDT 0.9095
83 KTA 0.9095
84 BRR 0.9092
85 GLY PRO 0.9092
86 6CS 0.9084
87 5WY 0.9084
88 R1P 0.9081
89 MEV 0.9081
90 DG2 0.9079
91 KDF 0.9079
92 PDC 0.9079
93 M44 0.9078
94 GZ8 0.9077
95 41K 0.9076
96 ORO 0.9068
97 AIN 0.9067
98 FX1 0.9066
99 8G0 0.9065
100 SIF 0.9064
101 T2D 0.9062
102 6LW 0.9060
103 AVO 0.9059
104 5HY 0.9059
105 HJ7 0.9058
106 FF3 0.9058
107 QAS 0.9057
108 IPZ 0.9056
109 PD2 0.9055
110 PCV 0.9054
111 DOR 0.9054
112 34D 0.9052
113 4ME 0.9049
114 YQA 0.9047
115 L14 0.9045
116 G88 0.9045
117 9SE 0.9045
118 FRU 0.9044
119 GTQ 0.9042
120 C2U 0.9041
121 OAF 0.9040
122 6XI 0.9040
123 DNC 0.9040
124 DNF 0.9040
125 6NI 0.9034
126 4WK 0.9033
127 D1X 0.9032
128 0OC 0.9028
129 SF6 0.9027
130 ZZ8 0.9027
131 QAT 0.9026
132 QIC 0.9023
133 091 0.9023
134 8VN 0.9020
135 FA6 0.9020
136 5CU 0.9017
137 2ZM 0.9017
138 97T 0.9016
139 9PY 0.9016
140 1U1 0.9014
141 6NT 0.9014
142 J9Q 0.9013
143 TSA 0.9012
144 AH8 0.9008
145 ET2 0.9008
146 ANN 0.9008
147 5OB 0.9006
148 KJM 0.9005
149 GCU 0.9005
150 0HO 0.9004
151 1F1 0.9004
152 6R8 0.9002
153 2PG 0.9001
154 S2T 0.9000
155 KLW 0.8998
156 2FT 0.8997
157 BZ3 0.8997
158 N8P 0.8996
159 SHA 0.8995
160 GV9 0.8994
161 40H 0.8992
162 N7P 0.8991
163 GAF 0.8990
164 FUD 0.8989
165 5NU 0.8988
166 3NY 0.8988
167 G01 0.8987
168 LSA 0.8987
169 K2P 0.8986
170 FA3 0.8986
171 54G 0.8986
172 2HU 0.8984
173 2ZQ 0.8984
174 3AL 0.8984
175 FA1 0.8984
176 5NI 0.8983
177 KJU 0.8980
178 XX3 0.8979
179 DOB 0.8978
180 QPR 0.8978
181 GLY MET 0.8978
182 PRE 0.8977
183 4M0 0.8976
184 RAT 0.8975
185 0HN 0.8975
186 Z5P 0.8971
187 0GY 0.8971
188 FA0 0.8971
189 PNZ 0.8971
190 3A9 0.8970
191 F12 0.8970
192 OW7 0.8969
193 5FN 0.8968
194 ICO 0.8968
195 KDG 0.8966
196 DIG 0.8965
197 E5X 0.8965
198 JAW 0.8964
199 RD4 0.8964
200 GNL 0.8963
201 NSG 0.8963
202 OXC 0.8963
203 3MF 0.8962
204 60Q 0.8962
205 AQK 0.8960
206 BHA 0.8960
207 SSC 0.8959
208 ADA 0.8959
209 OEM 0.8958
210 XSP 0.8957
211 3MB 0.8957
212 7WR 0.8956
213 ES2 0.8955
214 NVU 0.8954
215 KBB 0.8954
216 QM1 0.8953
217 APG 0.8953
218 2LY 0.8952
219 5RG 0.8950
220 BGT 0.8950
221 XYH 0.8949
222 1PL 0.8947
223 8GK 0.8947
224 OVM 0.8946
225 B2Y 0.8946
226 ABI 0.8944
227 CLW 0.8944
228 URC 0.8944
229 5ZZ 0.8942
230 SF9 0.8941
231 2MN 0.8937
232 7UC 0.8936
233 9TZ 0.8936
234 AMH 0.8935
235 210 0.8935
236 TSR 0.8935
237 4P5 0.8934
238 ODO 0.8934
239 GCV 0.8933
240 VGD 0.8932
241 15N 0.8931
242 SOE 0.8928
243 2BX 0.8927
244 3S6 0.8926
245 GIO 0.8926
246 15L 0.8925
247 NDG 0.8923
248 VNL 0.8923
249 IPB 0.8923
250 PSV 0.8921
251 SDD 0.8919
252 1CO 0.8919
253 G5V 0.8919
254 8WO 0.8919
255 GTR 0.8918
256 OW4 0.8918
257 LFC 0.8917
258 N2I 0.8917
259 QBK 0.8917
260 N2Z 0.8916
261 52C 0.8916
262 5M0 0.8916
263 45L 0.8916
264 CWJ 0.8915
265 7ZE 0.8915
266 JB8 0.8914
267 SKM 0.8913
268 I3A 0.8913
269 NCT 0.8912
270 DQA 0.8910
271 SR4 0.8909
272 SC2 0.8908
273 HA7 0.8908
274 5XC 0.8907
275 LFR 0.8907
276 MMA 0.8907
277 HNQ 0.8907
278 069 0.8905
279 X1E 0.8904
280 7NI 0.8904
281 9FL 0.8904
282 RNS 0.8904
283 TIU 0.8904
284 5MK 0.8903
285 II6 0.8902
286 X09 0.8900
287 NGO 0.8899
288 5GU 0.8897
289 M75 0.8897
290 H62 0.8896
291 2M5 0.8896
292 9KH 0.8896
293 REL 0.8895
294 JDN 0.8894
295 GZQ 0.8894
296 LAO 0.8893
297 E7Z 0.8892
298 4CS 0.8892
299 GTC 0.8891
300 5RN 0.8891
301 AI2 0.8890
302 6JN 0.8889
303 GTL 0.8889
304 IAC 0.8889
305 LT8 0.8888
306 9CA 0.8888
307 AMG 0.8888
308 SOL 0.8887
309 A13 0.8887
310 IFL 0.8887
311 BDF 0.8885
312 1P8 0.8885
313 DHK 0.8885
314 HDH 0.8885
315 PFL 0.8884
316 ALA PRO 0.8882
317 AS3 0.8881
318 36R 0.8879
319 AOS 0.8879
320 B0D 0.8879
321 KMH 0.8878
322 QUS 0.8876
323 AFR 0.8875
324 H42 0.8875
325 PPK 0.8875
326 VXX 0.8875
327 PEZ 0.8874
328 M5N 0.8872
329 OHP 0.8870
330 MS9 0.8869
331 GIV 0.8869
332 03V 0.8868
333 A29 0.8868
334 JJQ 0.8867
335 MNM 0.8867
336 4FS 0.8866
337 NGT 0.8866
338 F31 0.8866
339 KDO 0.8866
340 DEW 0.8865
341 0JD 0.8864
342 4VY 0.8863
343 94W 0.8862
344 92K 0.8862
345 DBX 0.8862
346 8XQ 0.8860
347 1IT 0.8859
348 EV0 0.8859
349 3PO 0.8858
350 F9Y 0.8857
351 M74 0.8857
352 TAG 0.8855
353 4WL 0.8855
354 DCO 0.8855
355 GCO 0.8855
356 7VS 0.8855
357 M1E 0.8855
358 GC2 0.8854
359 COU 0.8854
360 NGW 0.8854
361 92P 0.8854
362 JA8 0.8854
363 C2Y 0.8853
364 6TZ 0.8853
365 BDP 0.8853
366 HA5 0.8852
367 G4D 0.8852
368 B09 0.8852
369 J9T 0.8851
370 GLA 0.8851
371 ES5 0.8850
372 5JQ 0.8850
373 GIF 0.8850
374 RNT 0.8849
375 CS2 0.8849
376 5DI 0.8848
377 SYV 0.8848
378 8VE 0.8848
379 8GL 0.8847
380 KDV 0.8847
381 293 0.8847
382 BZ2 0.8847
383 KFH 0.8847
384 8TX 0.8846
385 HDL 0.8845
386 L5V 0.8845
387 SXS 0.8845
388 IOS 0.8845
389 8ZE 0.8845
390 0CG 0.8844
391 JR2 0.8844
392 MQB 0.8843
393 787 0.8843
394 2FY 0.8842
395 1U5 0.8842
396 FBB 0.8841
397 HIS 0.8840
398 NAG 0.8839
399 NZ3 0.8839
400 JB5 0.8839
401 ASC 0.8838
402 2HG 0.8838
403 2AQ 0.8837
404 2C0 0.8837
405 CBF 0.8837
406 BK9 0.8836
407 FIX 0.8834
408 3IT 0.8834
409 GLO 0.8833
410 3R9 0.8833
411 M0W 0.8833
412 1N4 0.8832
413 TSS 0.8830
414 M4E 0.8830
415 PSJ 0.8829
416 GAL 0.8829
417 3CR 0.8828
418 4ZA 0.8828
419 27L 0.8828
420 M0Q 0.8828
421 YIO 0.8828
422 MR1 0.8827
423 6FZ 0.8827
424 1X7 0.8827
425 FOC 0.8826
426 MUC 0.8826
427 3BU 0.8825
428 BCU 0.8825
429 DZA 0.8825
430 AUD 0.8825
431 GOG 0.8825
432 2TQ 0.8825
433 61O 0.8823
434 LMR 0.8823
435 2ED 0.8822
436 DIU 0.8822
437 51R 0.8822
438 DBH 0.8821
439 8S0 0.8821
440 4HC 0.8821
441 M72 0.8820
442 2C2 0.8820
443 MLE 0.8819
444 5VM 0.8819
445 SX1 0.8819
446 MTL 0.8818
447 OCH 0.8818
448 43W 0.8818
449 KYA 0.8818
450 FHN 0.8817
451 EUG 0.8817
452 4Z4 0.8817
453 F0J 0.8817
454 O2A 0.8816
455 3HA 0.8816
456 TVP 0.8816
457 TLA 0.8816
458 39U 0.8816
459 3F0 0.8815
460 M2K 0.8814
461 56D 0.8814
462 GYE 0.8813
463 SOR 0.8813
464 152 0.8813
465 3HG 0.8812
466 S76 0.8812
467 FE DB1 0.8811
468 XXP 0.8810
469 4P0 0.8810
470 BMA 0.8810
471 EYK 0.8809
472 GCB 0.8809
473 XAZ 0.8808
474 GDE 0.8807
475 4A5 0.8806
476 HBU 0.8805
477 2GS 0.8805
478 GLR 0.8804
479 M5E 0.8804
480 FBV 0.8804
481 BTY 0.8803
482 GUN 0.8803
483 TPO 0.8803
484 DHS 0.8802
485 1SV 0.8802
486 CSN 0.8802
487 FUC 0.8802
488 ESP 0.8802
489 4BZ 0.8802
490 2F6 0.8801
491 CKX 0.8801
492 GLG 0.8800
493 3MA 0.8800
494 XAN 0.8800
495 3OC 0.8800
496 463 0.8799
497 AGK 0.8799
498 GLF 0.8799
499 K2T 0.8798
500 4HM 0.8798
501 LPK 0.8797
502 0RN 0.8797
503 4NG 0.8797
504 R20 0.8796
505 3MG 0.8796
506 SN4 0.8795
507 BCK 0.8795
508 4NB 0.8795
509 EVA 0.8795
510 EA1 0.8793
511 9RH 0.8792
512 MVL 0.8792
513 V55 0.8792
514 MBG 0.8792
515 AHD 0.8791
516 IUP 0.8791
517 9DG 0.8791
518 4NM 0.8790
519 0LH 0.8790
520 G1P 0.8790
521 7Y3 0.8790
522 J9W 0.8789
523 ISD 0.8788
524 R8S 0.8788
525 7D2 0.8788
526 NHC 0.8788
527 2O6 0.8788
528 3R6 0.8787
529 7N0 0.8785
530 6DP 0.8785
531 263 0.8785
532 2A7 0.8785
533 UEG 0.8785
534 OVV 0.8785
535 42A 0.8784
536 YSO 0.8784
537 ZXD 0.8783
538 SVD 0.8783
539 717 0.8783
540 12T 0.8783
541 X1R 0.8782
542 MNP 0.8782
543 5RP 0.8782
544 AKG 0.8782
545 SYG 0.8782
546 23J 0.8780
547 8EW 0.8779
548 NZ2 0.8779
549 RNO 0.8779
550 HXX 0.8777
551 4JT 0.8776
552 RSM 0.8776
553 329 0.8776
554 BZX 0.8775
555 RB0 0.8774
556 1FF 0.8774
557 GLC 0.8774
558 ROR 0.8774
559 75K 0.8773
560 Q71 0.8773
561 SJ5 0.8773
562 149 0.8772
563 3HP 0.8772
564 BPN 0.8772
565 AQQ 0.8771
566 FYU 0.8771
567 IT9 0.8770
568 BGC 0.8770
569 4PN 0.8769
570 HHT 0.8768
571 UNC 0.8768
572 DZX 0.8767
573 2LP 0.8767
574 6KT 0.8765
575 NDH 0.8765
576 XIY 0.8765
577 7MU 0.8765
578 MAJ 0.8764
579 P22 0.8764
580 LQ2 0.8764
581 B55 0.8763
582 KIB 0.8762
583 LNR 0.8761
584 PHY 0.8761
585 DGJ 0.8760
586 212 0.8760
587 HQJ 0.8759
588 FPK 0.8759
589 FH2 0.8759
590 ESX 0.8759
591 UAN 0.8759
592 8H8 0.8758
593 EJZ 0.8757
594 FCR 0.8757
595 GZL 0.8756
596 ICB 0.8756
597 4AA 0.8756
598 K2Q 0.8756
599 2FG 0.8755
600 GAB 0.8755
601 SRT 0.8755
602 CTL 0.8754
603 GVM 0.8754
604 Q7A 0.8754
605 LDP 0.8753
606 G3F 0.8753
607 VOH 0.8753
608 XUL 0.8752
609 F4E 0.8752
610 7HQ 0.8752
611 LZM 0.8751
612 M3S 0.8751
613 0UT 0.8751
614 IFG 0.8750
615 BFM 0.8749
616 4JQ 0.8748
617 2K4 0.8747
618 AW5 0.8747
619 X1P 0.8747
620 3HB 0.8747
621 2H5 0.8746
622 3C7 0.8746
623 M3Q 0.8746
624 ISZ 0.8746
625 DA4 0.8745
626 RES 0.8745
627 ASO 0.8744
628 6VD 0.8744
629 DHB 0.8743
630 ZON 0.8743
631 SNO 0.8743
632 GXL 0.8742
633 PQK 0.8742
634 428 0.8742
635 SLC 0.8742
636 FXH 0.8742
637 5RO 0.8742
638 3V4 0.8741
639 1Z8 0.8741
640 PHB 0.8740
641 ZOL 0.8739
642 NOY 0.8739
643 TAR 0.8739
644 ASF 0.8739
645 9MG 0.8739
646 20J 0.8738
647 AZ8 0.8736
648 DAL DAL 0.8736
649 OVP 0.8736
650 G8M 0.8736
651 259 0.8735
652 5MI 0.8735
653 6RQ 0.8734
654 QDK 0.8734
655 X8Z 0.8734
656 BZS 0.8734
657 RIB 0.8734
658 FP1 0.8733
659 2AS 0.8733
660 MFU 0.8732
661 NID 0.8730
662 SER PRO 0.8729
663 3PG 0.8729
664 SRO 0.8729
665 5H1 0.8728
666 1P3 0.8728
667 LGC 0.8728
668 XEN 0.8728
669 8EZ 0.8728
670 67Y 0.8727
671 EMZ 0.8727
672 4I8 0.8726
673 1M2 0.8726
674 INE 0.8726
675 3NT 0.8726
676 4RW 0.8725
677 14O 0.8725
678 GTZ 0.8725
679 HLZ 0.8724
680 DIE 0.8724
681 OA3 0.8724
682 289 0.8723
683 PAB 0.8723
684 ARW 0.8722
685 FBU 0.8722
686 PZI 0.8721
687 4TU 0.8721
688 PEY 0.8720
689 512 0.8720
690 JV4 0.8720
691 A2G 0.8720
692 MAN 0.8720
693 3AB 0.8720
694 GLU 0.8720
695 AC6 0.8719
696 XH2 0.8719
697 5QY 0.8719
698 9FE 0.8718
699 PA1 0.8718
700 DBJ 0.8718
701 DHI 0.8718
702 J6W 0.8718
703 6AI 0.8717
704 DHY 0.8717
705 K97 0.8717
706 BPS 0.8716
707 46P 0.8714
708 GLY CYS 0.8713
709 4FA 0.8713
710 1WC 0.8712
711 7Q1 0.8712
712 2BG 0.8712
713 8XL 0.8711
714 XXG 0.8711
715 4AV 0.8711
716 APZ 0.8711
717 SLS 0.8710
718 2DR 0.8710
719 HYA 0.8710
720 C4L 0.8709
721 INO 0.8709
722 F34 0.8708
723 QY9 0.8707
724 A9O 0.8707
725 NOJ 0.8707
726 1GN 0.8706
727 DMJ 0.8705
728 9ZE 0.8705
729 2CZ 0.8705
730 NGA 0.8705
731 AHB 0.8704
732 DPF 0.8704
733 M1Q 0.8703
734 MJ2 0.8703
735 X6X 0.8702
736 MHK 0.8702
737 IV2 0.8701
738 HMU 0.8700
739 5LA 0.8699
740 SR1 0.8699
741 I1E 0.8699
742 GOX 0.8697
743 QMS 0.8697
744 OTR 0.8697
745 BHO 0.8697
746 NPO 0.8697
747 261 0.8697
748 MQN 0.8696
749 AJ2 0.8695
750 PE0 0.8695
751 NMJ 0.8695
752 HMH 0.8695
753 TT4 0.8694
754 JRB 0.8693
755 FEH 0.8693
756 IP0 0.8693
757 GT0 0.8692
758 E1P 0.8691
759 RM1 0.8691
760 0W8 0.8691
761 GJP 0.8690
762 Q88 0.8690
763 RIM 0.8689
764 XQK 0.8689
765 4ZC 0.8689
766 CN0 0.8689
767 5WX 0.8689
768 7FF 0.8689
769 H7Y 0.8688
770 M4S 0.8686
771 NLA 0.8686
772 SAL 0.8686
773 NIZ 0.8686
774 3PF 0.8686
775 7A8 0.8686
776 A09 0.8686
777 Q24 0.8685
778 4YO 0.8685
779 3DM 0.8683
780 GYP 0.8683
781 SEP 0.8683
782 53C 0.8683
783 ASP 0.8683
784 EHM 0.8682
785 D48 0.8682
786 IF7 0.8682
787 DYT 0.8681
788 DS0 0.8680
789 E4P 0.8680
790 3U4 0.8680
791 K6H 0.8679
792 12M 0.8679
793 MCO 0.8679
794 B2J 0.8679
795 KOJ 0.8679
796 CKU 0.8678
797 BEU 0.8678
798 P9P 0.8678
799 MEW 0.8677
800 MO8 0.8677
801 SAN 0.8677
802 TGX 0.8676
803 SNE 0.8676
804 4BY 0.8675
805 T9G 0.8675
806 MB1 0.8674
807 8OZ 0.8672
808 GF1 0.8671
809 7ME 0.8670
810 9RW 0.8670
811 2SX 0.8669
812 QX4 0.8668
813 XYL 0.8667
814 PRY 0.8667
815 5QX 0.8667
816 1LN 0.8666
817 ZZ3 0.8666
818 4XV 0.8665
819 AL0 0.8665
820 MWP 0.8664
821 BE2 0.8664
822 IFP 0.8664
823 4RU 0.8663
824 X0V 0.8663
825 NSP 0.8662
826 GDL 0.8661
827 4MA 0.8661
828 RBL 0.8661
829 4BL 0.8660
830 HBD 0.8659
831 RMN 0.8658
832 5MB 0.8657
833 PZM 0.8657
834 AX3 0.8657
835 24B 0.8657
836 LTM 0.8657
837 G2F 0.8657
838 SHG 0.8656
839 PAF 0.8655
840 HHI 0.8655
841 NOK 0.8655
842 AHR 0.8655
843 EDR 0.8654
844 4PW 0.8653
845 LRH 0.8651
846 3SK 0.8651
847 4FH 0.8651
848 M1H 0.8650
849 SKJ 0.8650
850 SD4 0.8650
851 4NC 0.8649
852 NTZ 0.8649
853 ECG 0.8649
854 FUL 0.8649
855 CHB 0.8648
856 BM3 0.8648
857 MA3 0.8647
858 EOL 0.8647
859 PBZ 0.8647
860 OGA 0.8647
861 ZB1 0.8646
862 M1P 0.8646
863 49N 0.8645
864 JWB 0.8644
865 CAM 0.8644
866 BSX 0.8643
867 NHG 0.8643
868 790 0.8643
869 173 0.8643
870 94B 0.8641
871 D07 0.8641
872 GCS 0.8641
873 EU7 0.8640
874 6J9 0.8640
875 57O 0.8640
876 67X 0.8640
877 XCZ 0.8639
878 DJN 0.8638
879 SMN 0.8638
880 TNX 0.8638
881 7MK 0.8638
882 WOO 0.8638
883 KBG 0.8637
884 XLS 0.8637
885 KIA 0.8637
886 ZZT 0.8637
887 P72 0.8636
888 BZJ 0.8636
889 IOP 0.8635
890 YRL 0.8635
891 K5W 0.8634
892 N3W 0.8633
893 ISJ 0.8633
894 3FH 0.8633
895 2D3 0.8631
896 TQU 0.8631
897 S24 0.8627
898 EKZ 0.8627
899 GLL 0.8627
900 1Y6 0.8626
901 3C4 0.8626
902 PJL 0.8626
903 ONL 0.8626
904 GRO 0.8624
905 DQU 0.8623
906 8GC 0.8623
907 3BZ 0.8623
908 HBA 0.8623
909 FBW 0.8622
910 HC4 0.8622
911 93K 0.8621
912 36E 0.8621
913 JZ4 0.8621
914 M4T 0.8620
915 GJZ 0.8619
916 PXL 0.8617
917 8SZ 0.8617
918 9R5 0.8616
919 6M4 0.8616
920 E7S 0.8615
921 SBK 0.8613
922 TRP 0.8613
923 VNJ 0.8613
924 7MX 0.8612
925 2HO 0.8610
926 8WT 0.8610
927 S7J 0.8609
928 EN1 0.8606
929 LR5 0.8606
930 AOZ 0.8606
931 NBG 0.8606
932 HHA 0.8606
933 MYJ 0.8605
934 9TW 0.8605
935 B57 0.8605
936 NBB 0.8604
937 SWA 0.8603
938 AHN 0.8601
939 S3P 0.8601
940 QSB 0.8600
941 PXM 0.8600
942 GLN 0.8600
943 ICF 0.8599
944 LCN 0.8598
945 MZT 0.8598
946 BBK 0.8598
947 HQD 0.8597
948 GOJ 0.8596
949 7QS 0.8596
950 CAH 0.8596
951 LT3 0.8596
952 B5D 0.8595
953 TYL 0.8594
954 OSE 0.8593
955 AOT 0.8593
956 ALL 0.8591
957 TLM 0.8590
958 F52 0.8590
959 0FK 0.8589
960 AEF 0.8588
961 FBF 0.8588
962 UNJ 0.8587
963 3DO 0.8586
964 JF4 0.8586
965 4XS 0.8585
966 IHB 0.8584
967 Z82 0.8584
968 AEH 0.8583
969 VK3 0.8583
970 RM4 0.8581
971 MFB 0.8580
972 GIM 0.8578
973 7I2 0.8578
974 ZGL 0.8578
975 TSU 0.8577
976 L13 0.8576
977 WCE 0.8575
978 EXD 0.8575
979 JND 0.8574
980 7WG 0.8572
981 PAC 0.8572
982 YZM 0.8571
983 S0E 0.8570
984 3ZB 0.8570
985 CNL 0.8569
986 JKE 0.8569
987 INF 0.8569
988 B62 0.8568
989 Q07 0.8568
990 CFA 0.8567
991 CTS 0.8564
992 3C2 0.8564
993 Z13 0.8563
994 2EH 0.8562
995 TL6 0.8562
996 DTR 0.8562
997 4VP 0.8562
998 1WD 0.8561
999 ABV 0.8558
1000 4JC 0.8557
1001 JF6 0.8557
1002 4HP 0.8556
1003 LYL 0.8555
1004 6UA 0.8553
1005 3XR 0.8552
1006 2EC 0.8552
1007 FDR 0.8551
1008 PJW 0.8550
1009 RBJ 0.8549
1010 DFU 0.8548
1011 TNF 0.8547
1012 JTH 0.8543
1013 3XX 0.8543
1014 E35 0.8541
1015 AAN 0.8539
1016 44V 0.8538
1017 G3P 0.8538
1018 680 0.8537
1019 3C1 0.8535
1020 MXN 0.8534
1021 TNE 0.8534
1022 KP6 0.8534
1023 FCB 0.8533
1024 4SX 0.8528
1025 0P6 0.8523
1026 HL4 0.8522
1027 PPR 0.8522
1028 308 0.8520
1029 KG1 0.8517
1030 2XX 0.8502
Ligand no: 2; Ligand: VAL; Similar ligands found: 792
No: Ligand Similarity coefficient
1 KIV 1.0000
2 MAK 0.9885
3 DXX 0.9803
4 192 0.9764
5 TMZ 0.9747
6 VAH 0.9738
7 MLA 0.9735
8 THE 0.9727
9 MLI 0.9711
10 SER 0.9668
11 1AC 0.9668
12 TMT 0.9664
13 KG7 0.9646
14 03W 0.9646
15 DGY 0.9646
16 HUI 0.9644
17 3HL 0.9643
18 DAB 0.9613
19 AC5 0.9609
20 2RA 0.9607
21 MAE 0.9600
22 WTZ 0.9597
23 9TY 0.9593
24 HSE 0.9572
25 HIU 0.9571
26 3PY 0.9569
27 CYS 0.9569
28 DSN 0.9569
29 AAE 0.9557
30 NVA 0.9555
31 9X7 0.9553
32 SIN 0.9553
33 MLM 0.9552
34 QFH 0.9551
35 4XX 0.9545
36 2KT 0.9536
37 DMG 0.9536
38 HCS 0.9529
39 PLQ 0.9526
40 GG6 0.9525
41 9YL 0.9522
42 NXA 0.9521
43 FLA 0.9517
44 HQE 0.9516
45 23B 0.9515
46 FPN 0.9514
47 DE2 0.9510
48 PCR 0.9502
49 LMR 0.9495
50 SMB 0.9494
51 39J 0.9492
52 DA1 0.9492
53 CMS 0.9491
54 ASN 0.9491
55 IVA 0.9486
56 NMG 0.9475
57 PRO 0.9475
58 LG4 0.9473
59 A3B 0.9471
60 TFB 0.9471
61 FUM 0.9469
62 C2N 0.9469
63 ITN 0.9466
64 HRZ 0.9463
65 ASP 0.9453
66 MBN 0.9452
67 MLT 0.9451
68 4AP 0.9449
69 2PC 0.9448
70 GBD 0.9447
71 3AP 0.9447
72 25R 0.9445
73 9PO 0.9444
74 273 0.9443
75 WOT 0.9435
76 CSS 0.9433
77 3MC 0.9432
78 IPH 0.9431
79 CRN 0.9431
80 IOM 0.9431
81 5AC 0.9429
82 T2C 0.9428
83 GXE 0.9427
84 PXY 0.9427
85 2AP 0.9425
86 HVK 0.9425
87 282 0.9422
88 DCY 0.9422
89 HY3 0.9421
90 4CH 0.9413
91 DCD 0.9413
92 3HR 0.9409
93 P2D 0.9407
94 OAA 0.9407
95 J1Z 0.9405
96 C5J 0.9404
97 8CL 0.9403
98 MBD 0.9399
99 4HS 0.9399
100 LGA 0.9396
101 PYG 0.9396
102 25T 0.9377
103 PRS 0.9377
104 69O 0.9371
105 A2Q 0.9368
106 SSN 0.9367
107 HZP 0.9365
108 UGC 0.9365
109 DAS 0.9363
110 BML 0.9362
111 2C9 0.9361
112 280 0.9360
113 XLS 0.9360
114 5FX 0.9359
115 PAE 0.9356
116 CEJ 0.9355
117 HDA 0.9355
118 JBN 0.9355
119 LER 0.9353
120 GAG 0.9352
121 NBE 0.9351
122 4JN 0.9349
123 TTO 0.9349
124 FLM 0.9348
125 MRY 0.9346
126 TP5 0.9345
127 TEO 0.9342
128 JYD 0.9341
129 C21 0.9338
130 IPU 0.9336
131 3CE 0.9334
132 FFP 0.9332
133 3FA 0.9331
134 URF 0.9331
135 DPR 0.9330
136 3MH 0.9329
137 H95 0.9329
138 GMN 0.9327
139 1DH 0.9327
140 HX2 0.9324
141 NVI 0.9324
142 CIZ 0.9324
143 FOA 0.9324
144 V1L 0.9323
145 2CM 0.9323
146 PYF 0.9323
147 HBX 0.9320
148 PY7 0.9318
149 OXQ 0.9315
150 TM4 0.9315
151 ORN 0.9314
152 60P 0.9314
153 23W 0.9309
154 XUL 0.9309
155 SYN 0.9307
156 BEW 0.9305
157 ABN 0.9305
158 DUC 0.9305
159 LEA 0.9304
160 ICC 0.9303
161 2HE 0.9298
162 EHM 0.9298
163 2MH 0.9298
164 2MY 0.9296
165 2CO 0.9296
166 2IM 0.9296
167 TDR 0.9295
168 4HO 0.9295
169 HV2 0.9290
170 HHN 0.9290
171 0R1 0.9287
172 98J 0.9285
173 JZ9 0.9284
174 40O 0.9281
175 CHT 0.9281
176 6MH 0.9280
177 BZF 0.9280
178 BZI 0.9279
179 ECE 0.9279
180 DEN 0.9279
181 MPI 0.9274
182 BAE 0.9272
183 CP 0.9268
184 IOL 0.9267
185 GVH 0.9266
186 SMV 0.9264
187 L60 0.9264
188 IND 0.9263
189 RBL 0.9263
190 1XX 0.9261
191 XYP 0.9260
192 RSF 0.9260
193 0CT 0.9260
194 BEN 0.9259
195 TAY 0.9258
196 URA 0.9255
197 LZ1 0.9254
198 4MV 0.9253
199 ARB 0.9252
200 93B 0.9251
201 HPY 0.9251
202 IDM 0.9251
203 PIH 0.9250
204 QDK 0.9249
205 1MC 0.9248
206 3ZQ 0.9246
207 YHO 0.9246
208 0TR 0.9245
209 NK 0.9245
210 4JP 0.9245
211 IQ0 0.9238
212 APY 0.9238
213 SAT 0.9237
214 FW5 0.9236
215 ICP 0.9235
216 PYD 0.9235
217 NIO 0.9235
218 MCT 0.9234
219 FCN 0.9233
220 FPY 0.9231
221 PPF 0.9229
222 MZ0 0.9228
223 WBU 0.9227
224 RB5 0.9227
225 RB0 0.9227
226 XYL 0.9227
227 275 0.9225
228 9CL 0.9223
229 278 0.9223
230 NCA 0.9223
231 CAQ 0.9222
232 0R0 0.9222
233 HYN 0.9222
234 CXL 0.9220
235 PCA 0.9218
236 SAL 0.9218
237 GXV 0.9217
238 4JU 0.9214
239 HYA 0.9213
240 TH0 0.9212
241 XBZ 0.9212
242 YCP 0.9212
243 BEZ 0.9211
244 ABU 0.9205
245 5UC 0.9204
246 FUL 0.9202
247 7EX 0.9199
248 PCT 0.9199
249 LDU 0.9199
250 HGW 0.9199
251 DUB 0.9199
252 5JC 0.9198
253 8X3 0.9198
254 4DX 0.9197
255 TZC 0.9197
256 43M 0.9193
257 5MH 0.9192
258 MB3 0.9192
259 24T 0.9190
260 CRS 0.9190
261 MPD 0.9190
262 1SP 0.9189
263 HAI 0.9188
264 BVC 0.9188
265 E60 0.9187
266 COI 0.9187
267 ROR 0.9186
268 BVG 0.9184
269 XYD 0.9184
270 4JO 0.9181
271 BE2 0.9181
272 JZ3 0.9180
273 BAM 0.9180
274 P7I 0.9180
275 BMD 0.9180
276 A1U 0.9180
277 MMZ 0.9179
278 2AC 0.9179
279 2MP 0.9179
280 JZ5 0.9178
281 2YU 0.9177
282 1PT 0.9177
283 26D 0.9176
284 286 0.9174
285 CYT 0.9174
286 R8A 0.9172
287 4CL 0.9171
288 34A 0.9171
289 DMV 0.9171
290 PZA 0.9170
291 FJO 0.9170
292 CYH 0.9170
293 7VD 0.9168
294 DTL 0.9165
295 XIX 0.9164
296 GOL 0.9163
297 NBZ 0.9163
298 TM7 0.9161
299 265 0.9159
300 I2M 0.9159
301 RCO 0.9157
302 HT4 0.9157
303 51F 0.9157
304 XPO 0.9155
305 POA 0.9154
306 TZE 0.9153
307 MWM 0.9151
308 LNO 0.9151
309 NTN 0.9150
310 MET 0.9150
311 4ZE 0.9150
312 PAV 0.9149
313 ADE 0.9149
314 6PC 0.9149
315 0MK 0.9149
316 PYC 0.9148
317 1MR 0.9147
318 HYP 0.9146
319 S0H 0.9144
320 QOS 0.9143
321 JZ2 0.9143
322 BUA 0.9142
323 ODV 0.9142
324 JBE 0.9142
325 AHB 0.9141
326 AMC 0.9141
327 BAL 0.9139
328 KYD 0.9139
329 JAB 0.9139
330 MZG 0.9138
331 4JJ 0.9138
332 AMT 0.9137
333 SNE 0.9136
334 R1X 0.9136
335 R2B 0.9136
336 2CH 0.9136
337 27Y 0.9135
338 3OH 0.9133
339 TAR 0.9132
340 BR9 0.9132
341 RIP 0.9132
342 H3M 0.9131
343 MRZ 0.9129
344 LG3 0.9127
345 3CH 0.9127
346 EDG 0.9126
347 VGL 0.9126
348 RUU 0.9125
349 92Z 0.9124
350 2HA 0.9124
351 2RH 0.9124
352 2DR 0.9122
353 AG2 0.9120
354 8EZ 0.9120
355 284 0.9120
356 HTS 0.9118
357 BU4 0.9116
358 JKE 0.9116
359 BTL 0.9115
360 SGL 0.9114
361 IUR 0.9113
362 6MP 0.9113
363 8LG 0.9113
364 7CZ 0.9111
365 HPA 0.9111
366 XYS 0.9111
367 PAF 0.9109
368 MWJ 0.9108
369 3U4 0.9106
370 3GR 0.9106
371 JZ1 0.9105
372 QSC 0.9104
373 DFU 0.9104
374 4SV 0.9103
375 TMH 0.9103
376 938 0.9101
377 FUC 0.9101
378 OXE 0.9100
379 LG5 0.9100
380 BVF 0.9099
381 1AB 0.9099
382 23A 0.9098
383 PRI 0.9098
384 34V 0.9096
385 FPI 0.9095
386 SRT 0.9095
387 MEU 0.9094
388 IDH 0.9094
389 1AN 0.9093
390 ICF 0.9093
391 1DU 0.9092
392 8GF 0.9092
393 IFM 0.9091
394 9DA 0.9090
395 B24 0.9090
396 4CS 0.9089
397 IHG 0.9088
398 93Q 0.9087
399 HGQ 0.9086
400 6X8 0.9085
401 IT2 0.9085
402 Z6J 0.9083
403 VX 0.9081
404 PYJ 0.9079
405 ICN 0.9078
406 AHR 0.9077
407 DTU 0.9077
408 PGA 0.9077
409 ARA 0.9077
410 94N 0.9076
411 ES6 0.9075
412 L89 0.9074
413 XAP 0.9074
414 LXC 0.9071
415 M58 0.9071
416 IMR 0.9071
417 2AS 0.9069
418 TAU 0.9068
419 TLA 0.9067
420 BUQ 0.9066
421 VNJ 0.9066
422 O7U 0.9065
423 1WD 0.9065
424 9HX 0.9063
425 AOA 0.9063
426 2AF 0.9061
427 PBE 0.9060
428 32O 0.9059
429 FP2 0.9059
430 YTB 0.9058
431 KMT 0.9058
432 DCL 0.9058
433 9X6 0.9057
434 MZW 0.9054
435 3MT 0.9053
436 BTE 0.9051
437 SEJ 0.9049
438 HSL 0.9047
439 7HP 0.9046
440 SS1 0.9046
441 HBA 0.9045
442 KPL 0.9043
443 3SK 0.9043
444 BUB 0.9042
445 CIG 0.9040
446 AC0 0.9040
447 TB6 0.9038
448 0V5 0.9038
449 285 0.9037
450 PBC 0.9037
451 40E 0.9034
452 HVQ 0.9032
453 FMS 0.9032
454 PM6 0.9031
455 HEW 0.9030
456 4AX 0.9030
457 NEQ 0.9030
458 76X 0.9029
459 ES4 0.9028
460 H76 0.9028
461 3SY 0.9028
462 3XX 0.9027
463 4MZ 0.9026
464 TLD 0.9025
465 UNU 0.9023
466 SC2 0.9020
467 NCM 0.9020
468 FCA 0.9016
469 4H2 0.9015
470 5MP 0.9013
471 SAR 0.9013
472 UYA 0.9009
473 B3R 0.9008
474 IP0 0.9006
475 7WV 0.9004
476 1MZ 0.9002
477 10L 0.9001
478 7WA 0.9001
479 OXM 0.9001
480 OXL 0.9000
481 2OP 0.9000
482 DTI 0.9000
483 MMU 0.9000
484 JZ0 0.8998
485 ITU 0.8997
486 MR3 0.8996
487 M6W 0.8996
488 64K 0.8995
489 9EW 0.8994
490 PYR 0.8994
491 F81 0.8993
492 2MZ 0.8992
493 FPK 0.8992
494 YAN 0.8990
495 1LN 0.8990
496 1DQ 0.8990
497 M3T 0.8985
498 Y8I 0.8984
499 SS2 0.8983
500 D2P 0.8983
501 COM 0.8982
502 DTT 0.8981
503 HHQ 0.8981
504 HOW 0.8980
505 PPV 0.8978
506 BAQ 0.8977
507 HIO 0.8975
508 NAK 0.8975
509 BE7 0.8975
510 AZF 0.8972
511 BP9 0.8971
512 ATQ 0.8971
513 6HQ 0.8971
514 BXO 0.8966
515 2AI 0.8966
516 JZ6 0.8964
517 OEM 0.8964
518 ETM 0.8960
519 PHB 0.8959
520 OXD 0.8957
521 P3K 0.8957
522 OPE 0.8956
523 6JN 0.8955
524 3TR 0.8954
525 LAC 0.8954
526 5KX 0.8953
527 FUB 0.8952
528 OXZ 0.8952
529 2XX 0.8951
530 JZ7 0.8951
531 BZX 0.8949
532 RIB 0.8949
533 ETF 0.8945
534 2EZ 0.8945
535 5MI 0.8945
536 2K4 0.8945
537 PEP 0.8944
538 HLR 0.8942
539 URP 0.8939
540 F60 0.8938
541 6AI 0.8935
542 6M4 0.8935
543 ALQ 0.8935
544 DPF 0.8933
545 HBR 0.8932
546 4VP 0.8932
547 BNS 0.8931
548 3BB 0.8927
549 6SP 0.8927
550 14O 0.8925
551 MSE 0.8924
552 PPR 0.8924
553 F05 0.8923
554 1CB 0.8921
555 FAC 0.8921
556 5H1 0.8920
557 FUF 0.8920
558 6UA 0.8914
559 11S 0.8914
560 PAH 0.8912
561 8H8 0.8911
562 BYZ 0.8910
563 UY7 0.8910
564 FBA 0.8908
565 MTG 0.8907
566 XBT 0.8906
567 9SB 0.8906
568 QUZ 0.8905
569 CXF 0.8905
570 TZL 0.8901
571 ZBT 0.8901
572 4SD 0.8899
573 MNM 0.8897
574 5MB 0.8894
575 HSM 0.8894
576 T6C 0.8892
577 H8N 0.8890
578 GLU 0.8889
579 2CK 0.8883
580 M1A 0.8881
581 DMI 0.8880
582 JIF 0.8880
583 KSW 0.8877
584 ES3 0.8876
585 BP1 0.8876
586 SVN 0.8875
587 BDR 0.8875
588 54D 0.8875
589 BUO 0.8874
590 ABV 0.8873
591 RAM 0.8872
592 7MH 0.8869
593 GBL 0.8864
594 FYU 0.8862
595 8FH 0.8861
596 270 0.8859
597 AX7 0.8859
598 NPY 0.8859
599 ES9 0.8856
600 DYA 0.8856
601 0RW 0.8855
602 SPV 0.8853
603 1P3 0.8853
604 PUT 0.8853
605 HMU 0.8852
606 DFB 0.8851
607 MED 0.8851
608 KOJ 0.8851
609 BSX 0.8850
610 FSG 0.8850
611 AX2 0.8849
612 HBS 0.8849
613 NSP 0.8847
614 14J 0.8846
615 XM0 0.8846
616 L3Q 0.8846
617 POP 0.8844
618 7N0 0.8840
619 3V4 0.8839
620 SVJ 0.8838
621 OHG 0.8838
622 4XR 0.8836
623 PZI 0.8835
624 NOY 0.8834
625 B20 0.8834
626 G6D 0.8832
627 HMH 0.8832
628 2MI 0.8831
629 ABE 0.8831
630 AGK 0.8831
631 URQ 0.8831
632 260 0.8829
633 HLT 0.8828
634 13X 0.8828
635 MFB 0.8822
636 LCN 0.8821
637 PYZ 0.8821
638 IFL 0.8821
639 PYM 0.8816
640 2ZX 0.8815
641 H4N 0.8814
642 FAN 0.8813
643 TFS 0.8812
644 NOJ 0.8810
645 TBP 0.8810
646 HSW 0.8808
647 XXR 0.8807
648 5Y9 0.8807
649 3ZS 0.8806
650 FK1 0.8805
651 2ZV 0.8804
652 NPO 0.8798
653 MYQ 0.8797
654 BHO 0.8797
655 3AY 0.8796
656 24B 0.8796
657 TF4 0.8795
658 C2A 0.8790
659 ZZT 0.8790
660 4JM 0.8790
661 ASO 0.8789
662 67N 0.8788
663 6M9 0.8787
664 TH7 0.8787
665 SLP 0.8787
666 AUD 0.8786
667 PTO 0.8785
668 TZZ 0.8785
669 BR8 0.8785
670 G2F 0.8784
671 FQI 0.8779
672 RP7 0.8779
673 4JL 0.8778
674 8NY 0.8774
675 GRE 0.8773
676 LRH 0.8772
677 OK7 0.8771
678 MLE 0.8770
679 GUN 0.8769
680 WDL 0.8769
681 GIF 0.8768
682 2TQ 0.8768
683 EXO 0.8767
684 MMQ 0.8767
685 C2B 0.8764
686 GLN 0.8764
687 6F0 0.8763
688 Z82 0.8755
689 NIS 0.8755
690 RHU 0.8755
691 9DG 0.8751
692 13P 0.8749
693 HY1 0.8744
694 4PW 0.8740
695 GYE 0.8734
696 GOO 0.8733
697 ISU 0.8733
698 RNS 0.8732
699 PIS 0.8727
700 EFS 0.8726
701 9J3 0.8723
702 VSO 0.8723
703 FEH 0.8721
704 XRG 0.8721
705 2PN 0.8716
706 1Y8 0.8716
707 DGL 0.8715
708 3AB 0.8712
709 GLY GLY 0.8708
710 3HB 0.8705
711 SWD 0.8704
712 MSF 0.8703
713 3NT 0.8702
714 25W 0.8702
715 DMJ 0.8700
716 EGD 0.8699
717 1LQ 0.8697
718 DZZ 0.8697
719 MXN 0.8693
720 FA0 0.8692
721 IF7 0.8692
722 AZA 0.8692
723 GAB 0.8692
724 XAN 0.8691
725 7B4 0.8691
726 B53 0.8687
727 47J 0.8684
728 TNE 0.8683
729 GLC 0.8680
730 6M1 0.8679
731 5NU 0.8678
732 GLL 0.8677
733 271 0.8675
734 MSN 0.8675
735 911 0.8674
736 1Y6 0.8673
737 OVV 0.8669
738 1WG 0.8666
739 RSO 0.8664
740 CFI 0.8663
741 PEA 0.8663
742 PAB 0.8663
743 2BN 0.8656
744 5CU 0.8655
745 Q88 0.8655
746 ARW 0.8653
747 HH5 0.8650
748 ISZ 0.8649
749 53C 0.8646
750 2CQ 0.8645
751 3M0 0.8643
752 3DM 0.8642
753 HX3 0.8642
754 JZ4 0.8642
755 PEL 0.8626
756 3HA 0.8625
757 CNL 0.8622
758 DBH 0.8621
759 4MA 0.8618
760 3F0 0.8617
761 G4D 0.8612
762 SYG 0.8611
763 3BZ 0.8610
764 T9G 0.8609
765 CAE 0.8600
766 CEE 0.8600
767 5RG 0.8600
768 GIO 0.8600
769 P72 0.8599
770 ACH 0.8598
771 717 0.8597
772 3DY 0.8596
773 FB1 0.8596
774 2LP 0.8595
775 K6H 0.8593
776 DOB 0.8593
777 MNN 0.8590
778 HBD 0.8589
779 N8P 0.8589
780 3RK 0.8586
781 TAN 0.8584
782 4M0 0.8581
783 PBZ 0.8581
784 MAN 0.8579
785 FBV 0.8575
786 3OC 0.8563
787 7WG 0.8563
788 24W 0.8547
789 AKG 0.8547
790 PMB 0.8543
791 3Z7 0.8539
792 DGJ 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PCA; Ligand: VAL; 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: 1pca.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PCA; Ligand: CIT; 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: 1pca.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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