Receptor
PDB id Resolution Class Description Source Keywords
1DWV 2.35 Å EC: 1.14.13.39 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-HYDROXYARGININE AND 4-AMINO TETRAHYDROBIOPTERIN MUS MUSCULUS OXIDOREDUCTASE TRANSFERASE COMPLEX COMPLEX (OXIDOREDUCTASE/TRANSFERASE) NITRIC OXIDE MONOOXYGENASE HEME DIMER INTERMEDIATE PTERIN 4-AMINO-TETRAHYDROBIOPTERIN
Ref.: STRUCTURES OF THE N(OMEGA)-HYDROXY-L-ARGININE COMPLEX OF INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER WITH ACTIVE ANDINACTIVE PTERINS BIOCHEMISTRY V. 39 4608 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4AB A:902;
B:902;
 Valid;
Valid;
 none;
none;
 submit data
240.262 C9 H16 N6 O2 C[C@@...
HAR A:909;
B:909;
 Valid;
Valid;
 none;
none;
 submit data
190.2 C6 H14 N4 O3 C(C[C...
HEM A:901;
B:901;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:904;
A:905;
A:906;
A:907;
B:904;
B:905;
B:906;
B:907;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:903;
B:903;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ORO 2 Å EC: 1.14.13.39 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (R)-1-(2-IMIDAZOL-1-YL-6-METHYL-PYRIMIDIN-4- Y L)-PYRROLIDINE-2-CARBOXYLIC ACID (2-BENZO[1,3]DIOXOL-5-YL-ET HYL)-AMIDE COMPLEX MUS MUSCULUS NITRIC OXIDE; L-ARGININE MONOOXYGENASE; HEME; DIMERIZATION; INHIBITOR; NOS OXIDOREDUCTASE
Ref.: DESIGN, SYNTHESIS, AND ACTIVITY OF 2-IMIDAZOL-1-YLPYRIMIDINE DERIVED INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS J.MED.CHEM. V. 50 1146 2007
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1DWV - HAR C6 H14 N4 O3 C(C[C@@H](....
2 2ORS - 391 C21 H16 N4 O4 Cc1cc(nc(n....
3 1M8D Kd ~ 4.3 uM CLW C7 H4 Cl N O2 c1cc2c(cc1....
4 1DF1 - ITU C3 H8 N2 S CCSC(=N)N
5 2NOS - AGU C H6 N4 C(=N)(N)NN
6 1R35 ic50 = 6.09 uM I58 C8 H16 F N3 O2 [H]/N=C(/C....
7 2ORR - 333 C20 H14 N4 O4 c1cc(ccc1n....
8 1DD7 ic50 = 28 nM 1PM C23 H25 N7 O5 COC(=O)N1C....
9 3NQS - H4B NO n/a n/a
10 2ORO ic50 = 0.29 nM 228 C22 H24 N6 O3 Cc1cc(nc(n....
11 3EAI ic50 = 0.074 uM 328 C19 H20 N4 O2 COc1ccnc(c....
12 1N2N - H4B C9 H15 N5 O3 C[C@@H]([C....
13 1M9T - H4B C9 H15 N5 O3 C[C@@H]([C....
14 2ORP ic50 = 1.9 nM R86 C27 H35 N7 O3 Cc1cc(nc(n....
15 3EBF ic50 = 0.4 uM 332 C17 H19 N3 O2 S c1cc2c(cc1....
16 1QW4 - H4B C9 H15 N5 O3 C[C@@H]([C....
17 1JWK - HBI C9 H13 N5 O3 C[C@@H]([C....
18 2ORQ - MR1 C8 H9 N O2 c1cc2c(cc1....
19 3E6N ic50 = 0.015 uM AS3 C9 H14 N2 CCCc1cc(cc....
20 3E65 ic50 = 0.13 uM XXZ C20 H22 F N5 O c1cc2c(c(c....
21 3E6T ic50 = 1.2 uM 1A2 C21 H22 F2 N6 O CCN1c2c(cc....
22 3E7M - H4B C9 H15 N5 O3 C[C@@H]([C....
23 1DWW - HAR C6 H14 N4 O3 C(C[C@@H](....
24 3E68 ic50 = 0.12 uM AT6 C16 H16 N4 O Cc1cc(nc(c....
25 3E6L ic50 = 0.72 uM A11 C13 H18 Cl N3 O2 CCOC(=O)N1....
26 3EBD ic50 = 0.04 uM 329 C8 H10 N2 O S C[C@H]1CN=....
27 2ORT - 342 C22 H23 N3 O3 c1cc(ccc1n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1DWV - HAR C6 H14 N4 O3 C(C[C@@H](....
2 2ORS - 391 C21 H16 N4 O4 Cc1cc(nc(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1DWV - HAR C6 H14 N4 O3 C(C[C@@H](....
2 2ORS - 391 C21 H16 N4 O4 Cc1cc(nc(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4AB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4AB 1 1
2 AP6 0.409091 0.75
Ligand no: 2; Ligand: HAR; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 HAR 1 1
2 NMM 0.707317 0.744186
3 NRG 0.666667 0.722222
4 NNH 0.65 0.928571
5 1KJ 0.644444 0.906977
6 RPI 0.630435 0.711538
7 ILO 0.619048 0.659091
8 CIR 0.6 0.681818
9 2KJ 0.591837 0.886364
10 D20 0.591837 0.673469
11 AS1 0.591837 0.717391
12 4JK 0.590909 0.704545
13 VUR 0.590909 0.681818
14 DAR 0.585366 0.780488
15 ARG 0.585366 0.780488
16 WT2 0.577778 0.714286
17 DA2 0.565217 0.64
18 3KJ 0.553191 0.829787
19 ONH 0.55 0.804878
20 JM2 0.541667 0.625
21 LN6 0.52 0.617021
22 HRG 0.511111 0.780488
23 JM7 0.509804 0.625
24 JM4 0.509434 0.6
25 3AR 0.5 0.711111
26 VIO 0.489796 0.617021
27 2MR 0.489796 0.727273
28 JM8 0.481481 0.612245
29 JM6 0.481481 0.6
30 JM5 0.472727 0.612245
31 AHL 0.468085 0.787234
32 5KJ 0.431373 0.78
33 BHH 0.428571 0.772727
34 ORN 0.414634 0.625
35 6HN 0.413043 0.607843
36 AAR 0.4 0.622222
Similar Ligands (3D)
Ligand no: 1; Ligand: 4AB; Similar ligands found: 723
No: Ligand Similarity coefficient
1 H4B 1.0000
2 H2B 1.0000
3 HBI 0.9981
4 BHS 0.9906
5 ZSP 0.9825
6 BIO 0.9708
7 0J4 0.9633
8 NEO 0.9623
9 7AP 0.9604
10 NEU 0.9571
11 MPU 0.9494
12 2K8 0.9477
13 KP2 0.9457
14 HHS 0.9431
15 B52 0.9414
16 RSV 0.9412
17 Q0K 0.9409
18 7PJ 0.9383
19 M78 0.9379
20 0J5 0.9376
21 NPX 0.9349
22 8Y7 0.9332
23 GXG 0.9328
24 N1E 0.9314
25 PH2 0.9294
26 5V7 0.9289
27 KF5 0.9285
28 FT6 0.9284
29 BGU 0.9279
30 ZEC 0.9274
31 S60 0.9265
32 0FK 0.9264
33 22L 0.9250
34 H4B NO 0.9247
35 92O 0.9246
36 CC5 0.9239
37 4NR 0.9238
38 B61 0.9232
39 TRP 0.9229
40 FF2 0.9229
41 WV7 0.9222
42 0SY 0.9219
43 3N1 0.9218
44 AJ1 0.9216
45 0OK 0.9214
46 EUH 0.9210
47 HHR 0.9210
48 NPS 0.9210
49 SJK 0.9208
50 5E5 0.9205
51 GEN 0.9202
52 WS7 0.9199
53 3VX 0.9190
54 QIV 0.9181
55 CX6 0.9180
56 2WU 0.9179
57 5AD 0.9178
58 6FB 0.9169
59 YZ9 0.9162
60 Z25 0.9156
61 AC2 0.9152
62 EV2 0.9151
63 FYR 0.9149
64 B56 0.9148
65 V1T 0.9139
66 CHQ 0.9137
67 2QV 0.9134
68 ZYR 0.9132
69 IQW 0.9131
70 SYE 0.9130
71 T1N 0.9122
72 PIQ 0.9122
73 5NN 0.9122
74 CTE 0.9121
75 ZYQ 0.9119
76 0FR 0.9117
77 1QV 0.9117
78 MD6 0.9115
79 2QU 0.9113
80 DX2 0.9111
81 OLU 0.9111
82 B5A 0.9110
83 KMY 0.9108
84 S0G 0.9106
85 4I8 0.9105
86 BQ2 0.9104
87 8HC 0.9102
88 EUE 0.9100
89 0JD 0.9100
90 XCG 0.9099
91 0DF 0.9098
92 N91 0.9093
93 1Q4 0.9092
94 PMM 0.9092
95 3SU 0.9089
96 SKF 0.9089
97 N0Z 0.9089
98 4KL 0.9088
99 39Z 0.9088
100 DBS 0.9087
101 7PS 0.9085
102 S0E 0.9085
103 IL5 0.9084
104 WS6 0.9084
105 4Z1 0.9082
106 THA 0.9081
107 UAY 0.9078
108 657 0.9077
109 9R5 0.9076
110 S98 0.9076
111 K7H 0.9075
112 PRL 0.9075
113 9UL 0.9073
114 TMG 0.9072
115 VUP 0.9070
116 Y3L 0.9070
117 PMP 0.9066
118 2GQ 0.9061
119 AMR 0.9060
120 A5H 0.9052
121 JF2 0.9051
122 ARP 0.9051
123 D64 0.9050
124 EQA 0.9050
125 54X 0.9049
126 BBY 0.9049
127 OA4 0.9049
128 EES 0.9046
129 ZHA 0.9042
130 6KT 0.9042
131 P9E 0.9039
132 7L4 0.9038
133 AJG 0.9037
134 3GX 0.9035
135 2PV 0.9034
136 FDR 0.9033
137 8D6 0.9033
138 5S9 0.9031
139 ONZ 0.9029
140 68A 0.9028
141 5WT 0.9028
142 LUM 0.9026
143 N2M 0.9026
144 3D1 0.9025
145 9KZ 0.9023
146 ITE 0.9023
147 5VU 0.9017
148 GO8 0.9015
149 BVS 0.9014
150 THM 0.9012
151 Z21 0.9011
152 4AU 0.9009
153 EYY 0.9008
154 AUG 0.9008
155 GW3 0.9007
156 SG2 0.9005
157 0GA 0.9003
158 1ZC 0.9002
159 WSD 0.9001
160 GA2 0.9001
161 1FL 0.9001
162 5SJ 0.8999
163 GZV 0.8998
164 2PK 0.8998
165 TCR 0.8998
166 6DQ 0.8996
167 7EH 0.8996
168 M3F 0.8991
169 JOB 0.8991
170 AVX 0.8991
171 F5C 0.8991
172 697 0.8991
173 3Y7 0.8991
174 CL9 0.8990
175 MFR 0.8990
176 47X 0.8990
177 X0U 0.8989
178 7D7 0.8988
179 GJP 0.8987
180 DRG 0.8985
181 9JT 0.8984
182 Z17 0.8983
183 MUK 0.8982
184 344 0.8981
185 D9Z 0.8981
186 Y0V 0.8978
187 EI1 0.8978
188 EYV 0.8977
189 9ZE 0.8975
190 A5Q 0.8975
191 ADN 0.8972
192 NPA 0.8971
193 EXD 0.8971
194 M5H 0.8971
195 FCW 0.8964
196 5TY 0.8964
197 GO2 0.8964
198 2O6 0.8964
199 X48 0.8962
200 G6P 0.8961
201 3AD 0.8960
202 E6Q 0.8958
203 2UD 0.8958
204 JF1 0.8956
205 RVE 0.8955
206 M6P 0.8955
207 ZRK 0.8954
208 GB4 0.8954
209 4BY 0.8954
210 HNT 0.8953
211 1DR 0.8953
212 5B2 0.8953
213 0UL 0.8952
214 QME 0.8951
215 1HP 0.8948
216 X0T 0.8948
217 0J2 0.8947
218 3R4 0.8944
219 3WJ 0.8940
220 HRM 0.8940
221 5F1 0.8936
222 W23 0.8936
223 9FH 0.8936
224 6QF 0.8935
225 363 0.8935
226 Q8G 0.8935
227 96Z 0.8935
228 1BW 0.8935
229 PLP 0.8934
230 DTR 0.8933
231 22T 0.8933
232 IOS 0.8933
233 15N 0.8932
234 NAG 0.8931
235 0NJ 0.8929
236 PQM 0.8928
237 46M 0.8927
238 6L6 0.8926
239 2FX 0.8926
240 KLV 0.8926
241 78U 0.8926
242 CEG 0.8925
243 CP6 0.8924
244 AUE 0.8924
245 5WS 0.8924
246 9CE 0.8924
247 H75 0.8923
248 MIL 0.8923
249 JYW 0.8922
250 FM1 0.8920
251 BP7 0.8920
252 789 0.8920
253 109 0.8919
254 BGN 0.8918
255 2JX 0.8917
256 26C 0.8917
257 HH6 0.8916
258 3L1 0.8916
259 FNT 0.8914
260 78P 0.8914
261 UQ1 0.8914
262 F40 0.8913
263 DE7 0.8913
264 BA5 0.8911
265 PQS 0.8911
266 3D8 0.8910
267 I2E 0.8909
268 WLH 0.8909
269 7FU 0.8909
270 HRD 0.8908
271 APS 0.8908
272 IAC 0.8907
273 KYN 0.8907
274 CG 0.8907
275 MDR 0.8906
276 6QT 0.8906
277 YE7 0.8902
278 2P3 0.8897
279 LVY 0.8896
280 5OR 0.8893
281 FER 0.8893
282 9BF 0.8893
283 4RU 0.8892
284 5GV 0.8892
285 X04 0.8892
286 XIF XYP 0.8892
287 1CY 0.8891
288 120 0.8891
289 549 0.8891
290 KW7 0.8891
291 57D 0.8890
292 A7H 0.8889
293 MXD 0.8889
294 54E 0.8888
295 JAH 0.8887
296 C2Y 0.8886
297 89J 0.8881
298 LL1 0.8880
299 6ZW 0.8880
300 7G0 0.8880
301 801 0.8879
302 MPP 0.8878
303 AWE 0.8877
304 8M5 0.8877
305 1HN 0.8877
306 6HP 0.8873
307 EF2 0.8873
308 TGW 0.8872
309 YF3 0.8871
310 6MD 0.8871
311 JXK 0.8871
312 FWD 0.8870
313 P2L 0.8870
314 25F 0.8868
315 PRH 0.8868
316 LOT 0.8868
317 7EL 0.8867
318 NAL 0.8867
319 E9S 0.8866
320 AQN 0.8866
321 ANC 0.8865
322 CR4 0.8864
323 C4E 0.8864
324 4FE 0.8864
325 MNS 0.8863
326 ZRL 0.8862
327 XYP XYP 0.8861
328 1HR 0.8861
329 DXK 0.8861
330 6EL 0.8860
331 7MX 0.8860
332 H7S 0.8860
333 HA5 0.8859
334 JA5 0.8859
335 CDY 0.8859
336 3UG 0.8858
337 397 0.8858
338 0OO 0.8858
339 N4E 0.8857
340 7MW 0.8857
341 4CN 0.8856
342 XYP XIF 0.8853
343 TJM 0.8852
344 B21 0.8851
345 YE6 0.8851
346 PXP 0.8850
347 15Q 0.8847
348 9H2 0.8846
349 ESI 0.8845
350 BVA 0.8844
351 8W9 0.8842
352 DTE 0.8841
353 GNG 0.8841
354 AU8 0.8840
355 LP8 0.8839
356 52F 0.8837
357 OQC 0.8836
358 3BH 0.8836
359 LFN 0.8836
360 3F4 0.8835
361 42R 0.8834
362 SZ5 0.8834
363 RGK 0.8834
364 GXD 0.8833
365 5GT 0.8832
366 1V3 0.8831
367 NRA 0.8831
368 CU8 0.8829
369 LTN 0.8829
370 1V4 0.8829
371 1DA 0.8828
372 5P3 0.8828
373 MUX 0.8826
374 1AJ 0.8826
375 P4L 0.8826
376 61M 0.8823
377 5WK 0.8822
378 WCU 0.8821
379 1V1 0.8821
380 4GU 0.8821
381 5M2 0.8821
382 C2M 0.8820
383 3WK 0.8818
384 D2G 0.8817
385 S0D 0.8817
386 DHC 0.8817
387 CX5 0.8817
388 ZAR 0.8817
389 LWS 0.8817
390 EV3 0.8816
391 FMB 0.8816
392 JYE 0.8816
393 CX4 0.8816
394 6J5 0.8815
395 PIC 0.8814
396 92P 0.8814
397 L15 0.8813
398 3JC 0.8812
399 N8Y 0.8812
400 HBO 0.8812
401 5C1 0.8811
402 HPR 0.8810
403 LR2 0.8810
404 OA1 0.8809
405 28A 0.8808
406 DT7 0.8808
407 124 0.8807
408 6SD 0.8806
409 A6W 0.8806
410 SWX 0.8805
411 BMZ 0.8805
412 ZZZ 0.8805
413 Y70 0.8805
414 1FE 0.8805
415 IXG 0.8804
416 5NB 0.8804
417 36M 0.8803
418 N7I 0.8803
419 NYJ 0.8803
420 3VW 0.8803
421 GJK 0.8802
422 B41 0.8801
423 H35 0.8801
424 DFL 0.8799
425 BG6 0.8798
426 ZIP 0.8797
427 EYJ 0.8797
428 GI1 0.8797
429 BWD 0.8796
430 M77 0.8796
431 C93 0.8796
432 ZTW 0.8796
433 PYU 0.8795
434 JP2 0.8794
435 4NP 0.8793
436 LR8 0.8793
437 VC3 0.8792
438 HA6 0.8792
439 AX4 0.8791
440 TBN 0.8790
441 VXX 0.8790
442 3AK 0.8789
443 NIF 0.8788
444 RDT 0.8787
445 PLR 0.8786
446 CWD 0.8786
447 20D 0.8784
448 5CD 0.8783
449 5N5 0.8783
450 W8L 0.8782
451 CDJ 0.8781
452 3J8 0.8780
453 428 0.8780
454 FMQ 0.8780
455 GDL 0.8780
456 IOP 0.8778
457 27K 0.8777
458 8NX 0.8775
459 GI4 0.8774
460 EAE 0.8774
461 5I5 0.8773
462 NOS 0.8773
463 A73 0.8773
464 BB4 0.8773
465 IDD 0.8773
466 A05 0.8770
467 CPW 0.8770
468 GC2 0.8770
469 3QV 0.8770
470 8ZE 0.8768
471 ARJ 0.8767
472 GMP 0.8766
473 0HY 0.8765
474 2L1 0.8765
475 UFO 0.8764
476 M4E 0.8764
477 AJ4 0.8764
478 B2L 0.8762
479 SLS 0.8761
480 8OX 0.8761
481 EST 0.8761
482 NDG 0.8760
483 MFZ 0.8759
484 6P3 0.8758
485 2J1 0.8757
486 5XL 0.8757
487 833 0.8757
488 M02 0.8756
489 PVQ 0.8756
490 NKI 0.8753
491 1SF 0.8753
492 OX2 0.8753
493 FZM 0.8751
494 FCD 0.8750
495 MTP 0.8750
496 ETV 0.8749
497 FMC 0.8749
498 3XH 0.8748
499 AOY 0.8747
500 5ER 0.8747
501 E3X 0.8747
502 1XS 0.8746
503 6E8 0.8745
504 A 0.8745
505 TSR 0.8745
506 68B 0.8744
507 MP5 0.8743
508 JY2 0.8743
509 4R1 0.8742
510 EE8 0.8742
511 14Z 0.8742
512 AH9 0.8741
513 1QP 0.8740
514 EGR 0.8740
515 PNP 0.8740
516 555 0.8739
517 5WN 0.8738
518 LJ3 0.8737
519 ZME 0.8737
520 92G 0.8737
521 JF8 0.8736
522 JGB 0.8735
523 14N 0.8734
524 5FD 0.8734
525 5XM 0.8731
526 NOC 0.8731
527 R4E 0.8731
528 HFT 0.8727
529 4MB 0.8727
530 JBZ 0.8725
531 VM1 0.8724
532 LI7 0.8724
533 FY8 0.8723
534 A4N 0.8723
535 0OL 0.8722
536 LZB 0.8722
537 AD3 0.8722
538 Q8D 0.8721
539 3WO 0.8721
540 3WN 0.8721
541 T98 0.8721
542 BDI 0.8721
543 D8Q 0.8720
544 2FD 0.8719
545 G30 0.8719
546 MUR 0.8718
547 LLT 0.8717
548 ZEZ 0.8716
549 NQH 0.8715
550 7I2 0.8714
551 KLK 0.8714
552 TMC 0.8714
553 848 0.8713
554 NK5 0.8712
555 AH6 0.8712
556 BNX 0.8712
557 CBE 0.8711
558 M9K 0.8710
559 ALE 0.8709
560 9FG 0.8709
561 3QI 0.8707
562 EN1 0.8706
563 ZYV 0.8706
564 SQM 0.8706
565 F02 0.8706
566 4L2 0.8706
567 4UO 0.8705
568 II4 0.8704
569 092 0.8704
570 B2E 0.8704
571 4HB 0.8704
572 8HG 0.8703
573 P4T 0.8702
574 E9L 0.8702
575 IMH 0.8701
576 3WL 0.8700
577 JYK 0.8695
578 L3L 0.8694
579 XYA 0.8694
580 CR1 0.8693
581 GLP 0.8693
582 6J9 0.8692
583 5O6 0.8692
584 ZON 0.8691
585 12R 0.8690
586 CIY 0.8690
587 ZZA 0.8689
588 L2K 0.8689
589 4Z9 0.8689
590 SQV 0.8688
591 1A5 0.8688
592 KY3 0.8688
593 BPU 0.8687
594 X6P 0.8687
595 GB5 0.8687
596 2FA 0.8686
597 5OO 0.8685
598 P0P 0.8681
599 B0K 0.8681
600 PTB 0.8680
601 6WL 0.8680
602 TB8 0.8679
603 KMP 0.8679
604 TYP 0.8678
605 G14 0.8678
606 0K7 0.8677
607 VT3 0.8677
608 M3W 0.8676
609 CXH 0.8676
610 2D2 0.8675
611 H2W 0.8672
612 A4D 0.8671
613 S7V 0.8670
614 F4K 0.8669
615 ERZ 0.8669
616 X2M 0.8668
617 PZP 0.8668
618 RKN 0.8667
619 J38 0.8666
620 NIY 0.8665
621 CC6 0.8664
622 1OT 0.8663
623 DAH 0.8663
624 5ID 0.8662
625 2KU 0.8660
626 FM2 0.8657
627 GOE 0.8657
628 AJD 0.8657
629 JMG 0.8655
630 6Q3 0.8655
631 CGW 0.8655
632 XDL XYP 0.8654
633 26A 0.8654
634 D1Y 0.8653
635 XIL 0.8653
636 KWB 0.8652
637 5RO 0.8651
638 M01 0.8650
639 BPY 0.8650
640 PE2 0.8649
641 OUB 0.8647
642 PVK 0.8647
643 IS2 0.8646
644 PUE 0.8646
645 0FO 0.8644
646 BHM 0.8641
647 MQG 0.8639
648 3VQ 0.8639
649 9GP 0.8638
650 B4O 0.8638
651 6CR 0.8636
652 AGI 0.8635
653 MI2 0.8632
654 ET0 0.8631
655 BJ4 0.8630
656 S7D 0.8628
657 0LA 0.8628
658 4UM 0.8628
659 XYP XDN 0.8626
660 ODK 0.8624
661 80G 0.8622
662 47V 0.8622
663 RAB 0.8622
664 3RP 0.8619
665 A6P 0.8619
666 EQW 0.8618
667 NQ7 0.8617
668 4FF 0.8617
669 TR4 0.8613
670 8UY 0.8613
671 C9E 0.8613
672 FSU 0.8613
673 H4E 0.8612
674 6BK 0.8612
675 2L2 0.8610
676 V13 0.8609
677 NE2 0.8608
678 ENG 0.8608
679 041 0.8608
680 EAT 0.8607
681 1EB 0.8606
682 MPK 0.8604
683 A8D 0.8601
684 ALR 0.8599
685 UA2 0.8599
686 V2Z 0.8599
687 WDW 0.8597
688 CFA 0.8597
689 C0H 0.8593
690 64F 0.8589
691 6WR 0.8585
692 5XK 0.8582
693 W29 0.8582
694 5H6 0.8579
695 DX7 0.8578
696 5WU 0.8572
697 MVN 0.8571
698 3TV 0.8569
699 PCQ 0.8568
700 4BX 0.8567
701 PPN 0.8566
702 UN9 0.8566
703 AVA 0.8566
704 5UD 0.8565
705 244 0.8564
706 QIF 0.8563
707 DCF 0.8562
708 LO1 0.8561
709 L21 0.8561
710 GJG 0.8559
711 PZ8 0.8551
712 ATX 0.8549
713 51Y 0.8547
714 AZC 0.8536
715 RUG 0.8534
716 5TT 0.8533
717 CMU 0.8528
718 L46 0.8527
719 PUR 0.8527
720 RPP 0.8521
721 WG8 0.8519
722 FC2 0.8515
723 EY7 0.8507
Ligand no: 2; Ligand: HAR; Similar ligands found: 232
No: Ligand Similarity coefficient
1 GGB 0.9697
2 ABH 0.9597
3 MLY 0.9572
4 NPI 0.9442
5 KPV 0.9398
6 EXY 0.9387
7 FB6 0.9352
8 DNN 0.9350
9 IAR 0.9342
10 DHH 0.9340
11 MLZ 0.9310
12 26P 0.9307
13 EGV 0.9293
14 Z70 0.9280
15 M3L 0.9279
16 4KJ 0.9264
17 SB7 0.9253
18 LPA 0.9248
19 JGY 0.9242
20 J9Y 0.9233
21 5AB 0.9230
22 S2C 0.9223
23 NOT 0.9223
24 5PV 0.9222
25 TEG 0.9205
26 SB9 0.9188
27 API 0.9179
28 6FG 0.9174
29 E8U 0.9163
30 ENW 0.9160
31 2OR 0.9158
32 PML 0.9144
33 2NP 0.9142
34 GVA 0.9127
35 I58 0.9127
36 2J3 0.9122
37 4ZD 0.9121
38 HJD 0.9118
39 KAP 0.9110
40 ALY 0.9110
41 XI7 0.9109
42 ENV 0.9107
43 11X 0.9088
44 MKN 0.9087
45 ZZU 0.9085
46 NFZ 0.9084
47 SZ7 0.9084
48 OCA 0.9084
49 6C5 0.9072
50 KNA 0.9072
51 DKA 0.9072
52 RGP 0.9066
53 19N 0.9062
54 8AC 0.9057
55 7XA 0.9054
56 S0B 0.9050
57 3GZ 0.9038
58 BZM 0.9037
59 IJ6 0.9036
60 G3M 0.9033
61 JX7 0.9025
62 M5P 0.9022
63 P93 0.9021
64 4Z0 0.9015
65 9J6 0.9008
66 JF5 0.9006
67 OJD 0.9004
68 KLS 0.8995
69 5TO 0.8994
70 9YT 0.8982
71 XOG 0.8979
72 FZ3 0.8977
73 6C9 0.8976
74 1PS 0.8974
75 6C4 0.8974
76 58X 0.8974
77 OOG 0.8973
78 4DI 0.8971
79 LL2 0.8969
80 N8C 0.8959
81 UN1 0.8949
82 D53 0.8947
83 DTB 0.8938
84 IJ1 0.8937
85 S0F 0.8932
86 3CX 0.8930
87 0V7 0.8930
88 PRO GLY 0.8930
89 SPD 0.8923
90 A51 0.8921
91 0QA 0.8920
92 0XR 0.8916
93 TPM 0.8912
94 D4G 0.8909
95 AOY 0.8908
96 GHQ 0.8905
97 GRQ 0.8903
98 GGG 0.8900
99 LVD 0.8898
100 HLP 0.8897
101 MVH 0.8891
102 3S9 0.8890
103 A8K 0.8889
104 TBJ 0.8888
105 AHN 0.8885
106 3IP 0.8885
107 PHQ ALA 0.8877
108 8YH 0.8872
109 011 0.8868
110 DA3 0.8868
111 OKP 0.8865
112 PQV 0.8858
113 YOF 0.8854
114 4TB 0.8848
115 PZX 0.8844
116 4YZ 0.8840
117 9OD 0.8837
118 1HS 0.8837
119 1HR 0.8822
120 S7D 0.8818
121 3YP 0.8817
122 DI9 0.8816
123 7MW 0.8814
124 2FM 0.8811
125 MGB 0.8806
126 DHM 0.8802
127 AZM 0.8802
128 ODI 0.8801
129 A7Q 0.8795
130 FHV 0.8795
131 64Z 0.8791
132 YIP 0.8787
133 D10 0.8781
134 IYR 0.8781
135 MF3 0.8778
136 8CV 0.8773
137 27K 0.8771
138 JFM 0.8770
139 0OP 0.8770
140 M5B 0.8769
141 DX5 0.8769
142 CT0 0.8764
143 6MW 0.8760
144 3GC 0.8760
145 PA5 0.8760
146 SLZ 0.8759
147 YE6 0.8754
148 GLY GLY GLY 0.8754
149 DBE 0.8753
150 N2Y 0.8749
151 F98 0.8749
152 4FP 0.8747
153 OJM 0.8743
154 BSU 0.8743
155 DZA 0.8741
156 PUE 0.8740
157 0L1 0.8739
158 AX5 0.8738
159 ZE7 0.8734
160 KPC 0.8734
161 HPK 0.8732
162 TZP 0.8732
163 IPE 0.8728
164 RP3 0.8725
165 STV 0.8721
166 N9M 0.8719
167 RE4 0.8719
168 E79 0.8711
169 3H2 0.8711
170 SS9 0.8698
171 PBN 0.8697
172 DIA 0.8697
173 5UF 0.8697
174 GAE 0.8696
175 HPX 0.8692
176 4Z1 0.8690
177 4TP 0.8689
178 VFG 0.8688
179 S0A 0.8687
180 A9B 0.8687
181 0K7 0.8685
182 5DS 0.8685
183 HL6 0.8685
184 FXY 0.8684
185 9VQ 0.8682
186 HPL 0.8681
187 A98 0.8680
188 6L6 0.8676
189 PMV 0.8675
190 E4P 0.8673
191 HPO 0.8673
192 37E 0.8671
193 STL 0.8665
194 DXP 0.8660
195 L06 0.8659
196 R10 0.8657
197 HPZ 0.8651
198 HX8 0.8651
199 BZQ 0.8650
200 A5P 0.8647
201 IPR 0.8647
202 YIH 0.8646
203 LYS 0.8643
204 KYN 0.8634
205 D2G 0.8629
206 N9J 0.8624
207 CXP 0.8616
208 PUW 0.8611
209 7N8 0.8609
210 TZM 0.8597
211 TYR 0.8596
212 TMG 0.8595
213 MD6 0.8590
214 BL0 0.8580
215 94X 0.8579
216 NK5 0.8576
217 5O5 0.8575
218 SNR 0.8574
219 CCW 0.8567
220 M2E 0.8566
221 0OY 0.8563
222 11C 0.8562
223 7VY 0.8559
224 0OL 0.8556
225 9JH 0.8555
226 F02 0.8546
227 2JJ 0.8544
228 JVD 0.8543
229 6J5 0.8539
230 5SP 0.8533
231 G6Q 0.8529
232 OC9 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ORO; Ligand: 228; 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: 2oro.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback