Receptor
PDB id Resolution Class Description Source Keywords
1O8A 2 Å EC: 3.2.1.- CRYSTAL STRUCTURE OF HUMAN ANGIOTENSIN CONVERTING ENZYME (NA HOMO SAPIENS METALLOPROTEASE ACE PEPTIDYL DIPEPTIDASE TYPE-I MEMBRANE-PROTEIN.
Ref.: CRYSTAL STRUCTURE OF THE HUMAN ANGIOTENSIN-CONVERTI ENZYME-LISINOPRIL COMPLEX. NATURE V. 421 551 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:700;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:703;
A:704;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NAG A:691;
A:692;
A:693;
A:694;
A:696;
A:695;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NXA A:702;
Valid;
none;
submit data
133.103 C4 H7 N O4 C[C@@...
ZN A:701;
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
4CA5 1.85 Å EC: 3.2.1.- HUMAN ANGIOTENSIN CONVERTING ENZYME IN COMPLEX WITH A PHOSPH TRIPEPTIDE FI HOMO SAPIENS HYDROLASE ZINC METALLOPEPTIDASE INHIBITOR BINDING
Ref.: CRYSTAL STRUCTURES OF HIGHLY SPECIFIC PHOSPHINIC TR ENANTIOMERS IN COMPLEX WITH THE ANGIOTENSIN-I CONVE ENZYME. FEBS J. V. 281 943 2014
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6F9U - D0W C25 H33 N3 O10 CC(=O)N[C@....
2 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
3 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
4 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
5 2XY9 Ki = 0.65 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
6 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
7 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
8 6H5W - FT8 C19 H24 N2 O4 S2 c1ccc(cc1)....
9 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
10 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
11 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
12 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
13 6F9T - D0Z C26 H40 N4 O9 S CS(=O)(=O)....
14 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
15 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
16 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
17 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6F9U - D0W C25 H33 N3 O10 CC(=O)N[C@....
2 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
3 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
4 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
5 2XY9 Ki = 0.65 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
6 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
7 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
8 6H5W - FT8 C19 H24 N2 O4 S2 c1ccc(cc1)....
9 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
10 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
11 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
12 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
13 6F9T - D0Z C26 H40 N4 O9 S CS(=O)(=O)....
14 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
15 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
16 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
17 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
50% Homology Family (58)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5AMB - MET VAL GLY GLY VAL VAL ILE ALA n/a n/a
2 4CA6 Ki = 180 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
3 2XYD Ki = 150 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
4 6TT1 - 1IU C19 H29 N8 O5 P C[C@H](CP(....
5 4BZS Ki = 75 nM K26 C25 H34 N3 O8 P CC[C@H](C)....
6 5AMA - ASP SER n/a n/a
7 6F9R Ki = 10.6 uM D0W C25 H33 N3 O10 CC(=O)N[C@....
8 6H5X - FT8 C19 H24 N2 O4 S2 c1ccc(cc1)....
9 4UFB - LYS PRO n/a n/a
10 3NXQ - RX4 C21 H31 N4 O8 P C[C@H](C[P....
11 6F9V Ki = 171.9 nM D0Z C26 H40 N4 O9 S CS(=O)(=O)....
12 5AM9 - GLU VAL n/a n/a
13 6TT4 - FT8 C19 H24 N2 O4 S2 c1ccc(cc1)....
14 5AM8 - PHE ARG HIS ASP SER GLY TYR n/a n/a
15 6TT3 - BJ2 C18 H28 N4 O8 C[C@@H](C(....
16 4BXK Ki = 11.21 nM 1IU C19 H29 N8 O5 P C[C@H](CP(....
17 6EN6 Ki = 11.45 nM BJ2 C18 H28 N4 O8 C[C@@H](C(....
18 6EN5 Ki = 11.45 nM BJ2 C18 H28 N4 O8 C[C@@H](C(....
19 4UFA - SAC ASP n/a n/a
20 3ZQZ - SLC C9 H13 N O3 Se C=C(C[SeH]....
21 2X8Z Ki = 11 nM X8Z C9 H15 N O3 S C[C@H](CS)....
22 2X97 Ki = 2200 nM RX4 C21 H31 N4 O8 P C[C@H](C[P....
23 2X93 - X93 C22 H30 N2 O5 C[C@@H](C(....
24 1J36 Ki = 18 nM LPR C21 H31 N3 O5 c1ccc(cc1)....
25 2X96 Ki = 94 uM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
26 5A2R - MLT C4 H6 O5 C([C@H](C(....
27 4AA1 Ki = 76 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
28 2X90 - EAL C18 H24 N2 O5 C[C@@H](C(....
29 2X92 - X92 C21 H28 N2 O5 C[C@@H](C(....
30 1J37 Ki = 1.1 nM X8Z C9 H15 N O3 S C[C@H](CS)....
31 4CA8 Ki = 120 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
32 2X8Y - FLC C6 H5 O7 C(C(=O)[O-....
33 2X94 - X94 C17 H28 N2 O5 CCC[C@@H](....
34 4CA7 Ki = 24 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
35 4ASQ - ARG PRO PRO GLY PHE SER PRO PHE ARG n/a n/a
36 2XHM - K26 C25 H34 N3 O8 P CC[C@H](C)....
37 2X95 - X95 C27 H34 N4 O5 c1ccc(cc1)....
38 4ASR - ARG PRO PRO GLY PHE THR PRO PHE ARG n/a n/a
39 2X91 Ki = 180 nM LPR C21 H31 N3 O5 c1ccc(cc1)....
40 6F9U - D0W C25 H33 N3 O10 CC(=O)N[C@....
41 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
42 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
43 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
44 2XY9 Ki = 0.65 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
45 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
46 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
47 6H5W - FT8 C19 H24 N2 O4 S2 c1ccc(cc1)....
48 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
49 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
50 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
51 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
52 6F9T - D0Z C26 H40 N4 O9 S CS(=O)(=O)....
53 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
54 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
55 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
56 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
57 6S1Z ic50 = 1.5 nM KS8 C23 H34 N O5 P c1ccc(cc1)....
58 6S1Y - KSN C10 H16 N2 O7 C(CC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NXA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NXA 1 1
2 40E 0.4 0.642857
Similar Ligands (3D)
Ligand no: 1; Ligand: NXA; Similar ligands found: 636
No: Ligand Similarity coefficient
1 MLT 0.9961
2 IOM 0.9880
3 DAS 0.9863
4 OAA 0.9803
5 CRN 0.9733
6 UGC 0.9668
7 LMR 0.9647
8 SC2 0.9646
9 SIN 0.9629
10 FUM 0.9607
11 TEO 0.9597
12 ASP 0.9572
13 ITN 0.9559
14 4MV 0.9539
15 8EW 0.9526
16 NMG 0.9526
17 VAL 0.9521
18 HDA 0.9516
19 IHG 0.9505
20 LEU 0.9503
21 PRO 0.9484
22 PEP 0.9482
23 6PC 0.9480
24 8EZ 0.9471
25 BAM 0.9470
26 SRT 0.9468
27 ASN 0.9460
28 MAE 0.9442
29 R1X 0.9431
30 PCA 0.9430
31 OEM 0.9427
32 URP 0.9415
33 5AC 0.9412
34 NCA 0.9403
35 BEN 0.9402
36 NIO 0.9401
37 RSO 0.9399
38 TLA 0.9394
39 JYD 0.9380
40 GLL 0.9373
41 192 0.9372
42 SHF 0.9360
43 9X7 0.9355
44 ISZ 0.9355
45 TFB 0.9353
46 NTN 0.9352
47 VGL 0.9350
48 CMS 0.9345
49 COI 0.9344
50 3SK 0.9339
51 KIV 0.9337
52 ICF 0.9334
53 BEZ 0.9331
54 THR 0.9324
55 SS2 0.9324
56 AC5 0.9321
57 BNS 0.9309
58 NIZ 0.9295
59 SPV 0.9294
60 HSE 0.9290
61 SER 0.9288
62 TAR 0.9271
63 IMR 0.9267
64 PBC 0.9267
65 YCP 0.9262
66 2RH 0.9252
67 DTL 0.9246
68 98J 0.9245
69 R2B 0.9243
70 HY3 0.9240
71 OKG 0.9232
72 HZP 0.9231
73 SAL 0.9230
74 IP0 0.9229
75 HCS 0.9228
76 BE2 0.9228
77 TZE 0.9223
78 DGL 0.9220
79 TP5 0.9219
80 DXX 0.9217
81 HBX 0.9215
82 PRS 0.9215
83 VAH 0.9215
84 FOA 0.9211
85 AKB 0.9206
86 CIZ 0.9203
87 3OC 0.9201
88 3AB 0.9200
89 IQ0 0.9193
90 1DU 0.9192
91 MLI 0.9189
92 51F 0.9187
93 3U4 0.9186
94 MLA 0.9183
95 PEQ 0.9182
96 RUU 0.9182
97 TIU 0.9174
98 1DQ 0.9173
99 URQ 0.9171
100 273 0.9171
101 FLA 0.9170
102 APY 0.9170
103 GUA 0.9170
104 HBA 0.9167
105 40O 0.9165
106 EHM 0.9164
107 AMC 0.9164
108 QY9 0.9162
109 FPY 0.9153
110 2PC 0.9152
111 2AS 0.9151
112 HX2 0.9151
113 FEH 0.9148
114 JKE 0.9148
115 ILE 0.9146
116 BP9 0.9146
117 2TQ 0.9142
118 ALO 0.9140
119 DE2 0.9140
120 PEZ 0.9138
121 PHB 0.9136
122 URF 0.9136
123 GBD 0.9134
124 SSN 0.9133
125 SS1 0.9133
126 OXQ 0.9130
127 C21 0.9130
128 3SL 0.9126
129 DSN 0.9124
130 S0H 0.9124
131 ABN 0.9121
132 AL0 0.9118
133 7WG 0.9117
134 AKG 0.9116
135 N7P 0.9116
136 THE 0.9115
137 GLY GLY 0.9113
138 GLU 0.9113
139 GAG 0.9110
140 OK7 0.9110
141 2RA 0.9109
142 I1E 0.9104
143 CFI 0.9104
144 SNE 0.9101
145 4CS 0.9098
146 CP 0.9098
147 PZI 0.9097
148 HIO 0.9097
149 FPI 0.9096
150 SYN 0.9095
151 PGA 0.9095
152 1CO 0.9095
153 FBJ 0.9095
154 XUL 0.9094
155 GLN 0.9094
156 GZ3 0.9093
157 1MR 0.9093
158 PYJ 0.9090
159 MRY 0.9089
160 JBN 0.9087
161 PG3 0.9085
162 5HY 0.9084
163 RBL 0.9082
164 M58 0.9082
165 ROR 0.9080
166 3HL 0.9080
167 NVA 0.9079
168 GLY ALA 0.9075
169 DYA 0.9075
170 ICN 0.9072
171 3V4 0.9068
172 UY7 0.9064
173 WBU 0.9063
174 9YL 0.9062
175 FW5 0.9062
176 53C 0.9061
177 JZ3 0.9058
178 SKG 0.9057
179 03W 0.9057
180 NBZ 0.9057
181 UNU 0.9054
182 R67 0.9053
183 MET 0.9053
184 PRI 0.9052
185 EDG 0.9051
186 ACH 0.9049
187 PPR 0.9049
188 69O 0.9048
189 DCL 0.9047
190 IXW 0.9046
191 0OC 0.9044
192 DBB 0.9044
193 7N0 0.9043
194 DPF 0.9042
195 SD4 0.9041
196 282 0.9041
197 ORN 0.9039
198 CSS 0.9039
199 HYP 0.9037
200 HL5 0.9036
201 CXF 0.9035
202 6JN 0.9034
203 TZL 0.9033
204 RB5 0.9032
205 QFH 0.9031
206 PZA 0.9031
207 5FX 0.9031
208 1DJ 0.9030
209 MNN 0.9030
210 54D 0.9027
211 MUC 0.9026
212 60P 0.9026
213 AHR 0.9024
214 RNS 0.9023
215 B24 0.9023
216 1DV 0.9021
217 8OZ 0.9021
218 1SP 0.9019
219 3PY 0.9017
220 23W 0.9017
221 2IT 0.9017
222 BHO 0.9015
223 MXN 0.9014
224 R9M 0.9013
225 PYC 0.9013
226 0V5 0.9010
227 LER 0.9006
228 MAK 0.9006
229 4SV 0.9004
230 NLE 0.9004
231 3PP 0.9004
232 MYQ 0.9001
233 45L 0.9001
234 SMV 0.9000
235 CDV 0.9000
236 HIS 0.8998
237 QSC 0.8998
238 HY1 0.8996
239 DGY 0.8996
240 ABU 0.8994
241 GAB 0.8993
242 2MH 0.8991
243 RNT 0.8990
244 X1S 0.8990
245 GG6 0.8988
246 1AB 0.8984
247 7A8 0.8978
248 MEV 0.8978
249 URA 0.8971
250 OHG 0.8970
251 4VP 0.8970
252 NK 0.8969
253 A3B 0.8968
254 IVA 0.8967
255 G2H 0.8964
256 LDU 0.8964
257 51R 0.8964
258 261 0.8964
259 SMN 0.8963
260 OVV 0.8962
261 2FT 0.8960
262 2DR 0.8960
263 XBT 0.8960
264 5XB 0.8959
265 2KT 0.8957
266 H95 0.8956
267 MZW 0.8955
268 XYL 0.8955
269 9TY 0.8954
270 DMG 0.8954
271 XCZ 0.8953
272 23B 0.8953
273 2CO 0.8952
274 XLS 0.8951
275 2PG 0.8951
276 MRZ 0.8946
277 1P3 0.8944
278 ZBT 0.8943
279 VNJ 0.8942
280 KG7 0.8939
281 NBE 0.8939
282 286 0.8939
283 FYU 0.8938
284 DTT 0.8936
285 JZ7 0.8936
286 O7U 0.8936
287 FP1 0.8936
288 RIP 0.8936
289 RIB 0.8936
290 7WV 0.8935
291 DCY 0.8935
292 271 0.8934
293 3HB 0.8933
294 DAB 0.8933
295 WTZ 0.8933
296 HPY 0.8930
297 CYS 0.8930
298 PAE 0.8929
299 4JU 0.8929
300 9CL 0.8927
301 3ZQ 0.8927
302 3BZ 0.8927
303 MSE 0.8926
304 8GC 0.8923
305 R9S 0.8923
306 GGL 0.8917
307 TZC 0.8917
308 0R0 0.8916
309 NVI 0.8916
310 HPA 0.8915
311 ORO 0.8915
312 IT2 0.8913
313 3NT 0.8913
314 BAE 0.8909
315 TMH 0.8908
316 34A 0.8908
317 DMV 0.8906
318 4SD 0.8906
319 XYS 0.8905
320 XM0 0.8905
321 9RW 0.8905
322 TDR 0.8905
323 2AL 0.8904
324 AHB 0.8901
325 H3M 0.8901
326 9X6 0.8901
327 14J 0.8901
328 CRS 0.8899
329 FSG 0.8898
330 BE7 0.8896
331 FA1 0.8895
332 PEL 0.8895
333 PAH 0.8894
334 MLM 0.8894
335 6AI 0.8893
336 RSF 0.8893
337 2HG 0.8893
338 PBE 0.8893
339 2K4 0.8892
340 4CH 0.8889
341 ABE 0.8885
342 CEJ 0.8885
343 ES6 0.8885
344 1GP 0.8884
345 4DX 0.8883
346 SJ5 0.8883
347 DFU 0.8883
348 14O 0.8883
349 HYA 0.8883
350 KOJ 0.8883
351 5H1 0.8879
352 FUF 0.8876
353 IDM 0.8875
354 AC0 0.8875
355 GYE 0.8875
356 1WD 0.8873
357 13P 0.8873
358 MCT 0.8873
359 M2H 0.8873
360 5HN 0.8873
361 284 0.8872
362 4ZE 0.8871
363 F60 0.8870
364 MWM 0.8870
365 HTX 0.8870
366 IT9 0.8870
367 LEA 0.8870
368 ADE 0.8870
369 RMN 0.8869
370 HGQ 0.8868
371 AN0 0.8866
372 34V 0.8865
373 2MP 0.8864
374 LNO 0.8863
375 PYF 0.8862
376 5UC 0.8861
377 FQI 0.8861
378 AC6 0.8860
379 F9P 0.8860
380 JZ5 0.8860
381 HIU 0.8859
382 34D 0.8857
383 BZX 0.8856
384 280 0.8853
385 IDH 0.8852
386 5MB 0.8852
387 5MI 0.8850
388 SMB 0.8848
389 C2A 0.8847
390 Z6J 0.8847
391 QDK 0.8845
392 1MC 0.8845
393 GRO 0.8845
394 2AC 0.8844
395 PGH 0.8843
396 RCO 0.8841
397 PAF 0.8840
398 XYD 0.8840
399 FBA 0.8837
400 8H8 0.8837
401 HMH 0.8837
402 WCE 0.8836
403 C2N 0.8836
404 ICP 0.8835
405 PYD 0.8835
406 MLE 0.8835
407 26D 0.8835
408 RB0 0.8834
409 0MK 0.8832
410 1SA 0.8832
411 XBZ 0.8832
412 C5J 0.8831
413 DOR 0.8830
414 BML 0.8829
415 DHS 0.8827
416 JZ1 0.8826
417 3PG 0.8825
418 GLY PRO 0.8824
419 HHA 0.8823
420 4XR 0.8821
421 AAE 0.8820
422 BVC 0.8818
423 HX3 0.8818
424 HYN 0.8817
425 TH0 0.8812
426 A1U 0.8812
427 QOS 0.8812
428 HVQ 0.8811
429 TM7 0.8810
430 278 0.8809
431 ICC 0.8809
432 43M 0.8808
433 ES9 0.8806
434 HMU 0.8804
435 BDR 0.8804
436 6NA 0.8801
437 G4D 0.8801
438 PCT 0.8801
439 ODV 0.8800
440 11S 0.8800
441 ECE 0.8796
442 6CS 0.8791
443 7HP 0.8791
444 173 0.8791
445 AGK 0.8790
446 HUI 0.8789
447 MPD 0.8789
448 IFM 0.8788
449 ABA 0.8788
450 4HO 0.8786
451 I2M 0.8786
452 HT4 0.8784
453 MED 0.8784
454 4JL 0.8783
455 PSJ 0.8781
456 GIF 0.8780
457 39J 0.8780
458 BVG 0.8779
459 ZZT 0.8779
460 3CH 0.8778
461 DGN 0.8778
462 5MH 0.8774
463 24B 0.8774
464 XYP 0.8774
465 CYT 0.8771
466 5OB 0.8770
467 D1X 0.8770
468 DUC 0.8769
469 FUL 0.8766
470 6M4 0.8766
471 9DG 0.8766
472 FBM 0.8766
473 DBH 0.8765
474 FPK 0.8763
475 24T 0.8761
476 FK1 0.8758
477 DOB 0.8758
478 4JJ 0.8756
479 J1Z 0.8756
480 PLQ 0.8754
481 JZ2 0.8754
482 G3P 0.8753
483 5CU 0.8753
484 4CL 0.8752
485 49F 0.8752
486 LG3 0.8750
487 GOL 0.8749
488 1PT 0.8748
489 IND 0.8748
490 GUN 0.8747
491 MZG 0.8746
492 BVF 0.8745
493 4M0 0.8745
494 2YU 0.8744
495 LRH 0.8744
496 G3H 0.8744
497 IUR 0.8743
498 CEE 0.8742
499 4JO 0.8740
500 ALA ALA 0.8740
501 LZ1 0.8738
502 FUC 0.8738
503 PY7 0.8737
504 FBW 0.8737
505 285 0.8736
506 SF9 0.8736
507 GVH 0.8734
508 HCI 0.8733
509 DYT 0.8730
510 HQE 0.8729
511 FPN 0.8728
512 069 0.8727
513 DEN 0.8724
514 L3Q 0.8724
515 URS 0.8724
516 CAQ 0.8722
517 0R1 0.8722
518 FOC 0.8722
519 LG5 0.8722
520 AG2 0.8721
521 9J3 0.8719
522 SGL 0.8719
523 5RG 0.8718
524 PCR 0.8718
525 DA1 0.8717
526 XAN 0.8717
527 ASC 0.8715
528 T2C 0.8714
529 25T 0.8712
530 MPI 0.8712
531 BZI 0.8712
532 AZF 0.8712
533 GP9 0.8710
534 PXY 0.8709
535 NSP 0.8709
536 BRT 0.8708
537 3HA 0.8707
538 OSE 0.8706
539 JZ9 0.8706
540 FA0 0.8705
541 3YP 0.8705
542 5JC 0.8704
543 9EW 0.8704
544 BZF 0.8704
545 8GF 0.8697
546 F05 0.8697
547 25R 0.8696
548 AUD 0.8696
549 4JP 0.8695
550 TLD 0.8694
551 3M0 0.8694
552 MWJ 0.8693
553 6M9 0.8689
554 32O 0.8689
555 OXZ 0.8686
556 27Y 0.8685
557 GTQ 0.8684
558 DX4 0.8683
559 SEP 0.8683
560 H76 0.8681
561 3HR 0.8678
562 XSP 0.8676
563 DPR 0.8674
564 LG4 0.8674
565 JFJ 0.8673
566 A2F 0.8672
567 IPB 0.8670
568 JZ4 0.8670
569 SHA 0.8667
570 BR9 0.8667
571 152 0.8666
572 0CT 0.8662
573 PLU 0.8662
574 3AL 0.8661
575 MEQ 0.8660
576 47J 0.8660
577 KMH 0.8658
578 270 0.8654
579 TH7 0.8653
580 AZG 0.8651
581 2A7 0.8651
582 3F0 0.8649
583 KMT 0.8648
584 SDD 0.8647
585 KPL 0.8647
586 3MV 0.8646
587 BHH 0.8646
588 CIG 0.8645
589 AZA 0.8645
590 5NU 0.8644
591 IPM 0.8643
592 AX7 0.8642
593 10L 0.8642
594 BZ3 0.8640
595 64K 0.8635
596 RM1 0.8628
597 BEW 0.8624
598 P2D 0.8623
599 9ON 0.8623
600 DAL DAL 0.8622
601 6MP 0.8613
602 Y8I 0.8613
603 UYA 0.8613
604 AOS 0.8611
605 YHO 0.8609
606 HH5 0.8607
607 ZZ3 0.8605
608 P4B 0.8604
609 I3A 0.8603
610 CCB 0.8602
611 9DA 0.8602
612 23A 0.8598
613 2EH 0.8591
614 WOT 0.8590
615 ARB 0.8590
616 2MI 0.8589
617 9HX 0.8589
618 GXV 0.8586
619 NFQ 0.8585
620 4HS 0.8583
621 SEJ 0.8580
622 S76 0.8576
623 BP1 0.8575
624 BHA 0.8572
625 7UC 0.8568
626 GLC 0.8565
627 PRY 0.8563
628 OXC 0.8563
629 P92 0.8558
630 PKU 0.8554
631 7MU 0.8553
632 JAB 0.8549
633 7HQ 0.8548
634 LYS 0.8543
635 7WA 0.8538
636 4JN 0.8538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CA5; Ligand: 3EF; 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: 4ca5.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
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