Receptor
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
ICF A:201;
Valid;
none;
Ka ~ 100000 M^-1
184.492 C3 H2 Cl F5 O [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
2 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
3 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
4 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
5 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
6 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
8 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
9 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ICF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ICF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ICF; Similar ligands found: 684
No: Ligand Similarity coefficient
1 LMR 0.9531
2 URF 0.9499
3 OAA 0.9494
4 MLT 0.9481
5 ASP 0.9472
6 WBU 0.9470
7 DAS 0.9427
8 UY7 0.9393
9 CRN 0.9392
10 PEP 0.9390
11 TEO 0.9384
12 51R 0.9377
13 UGC 0.9369
14 ITN 0.9368
15 PGA 0.9352
16 NXA 0.9334
17 PAF 0.9320
18 LEU 0.9312
19 PCA 0.9284
20 CMS 0.9283
21 1GP 0.9281
22 ASN 0.9267
23 UYA 0.9256
24 IOM 0.9251
25 SC2 0.9249
26 BAM 0.9247
27 ADE 0.9236
28 KPL 0.9233
29 SIN 0.9231
30 GAG 0.9228
31 FSG 0.9224
32 FYU 0.9222
33 6PC 0.9219
34 JKE 0.9216
35 X1S 0.9208
36 NIO 0.9206
37 SRT 0.9205
38 TLA 0.9200
39 2RH 0.9196
40 BEZ 0.9193
41 PMB 0.9192
42 HPA 0.9191
43 NCA 0.9188
44 PEQ 0.9185
45 GLN 0.9180
46 NTN 0.9178
47 RIB 0.9175
48 BEN 0.9171
49 PHB 0.9170
50 CIZ 0.9169
51 1DQ 0.9169
52 FB1 0.9168
53 GLU 0.9168
54 HY3 0.9165
55 NPO 0.9164
56 ACH 0.9164
57 3PP 0.9163
58 PZA 0.9156
59 FLA 0.9156
60 0V5 0.9153
61 BE2 0.9149
62 SAL 0.9149
63 GG6 0.9148
64 COI 0.9148
65 7HP 0.9142
66 UNU 0.9141
67 PAB 0.9137
68 PZI 0.9136
69 60P 0.9136
70 PBC 0.9136
71 VGL 0.9127
72 JBN 0.9126
73 RSF 0.9123
74 THR 0.9120
75 40E 0.9119
76 FUM 0.9119
77 NBZ 0.9116
78 2PG 0.9116
79 SPV 0.9115
80 MAE 0.9115
81 BZX 0.9111
82 G3P 0.9109
83 JYD 0.9109
84 1DV 0.9108
85 DGL 0.9106
86 HDA 0.9106
87 AL0 0.9104
88 13P 0.9102
89 CFI 0.9101
90 ILE 0.9100
91 G3H 0.9097
92 TZC 0.9097
93 PEZ 0.9095
94 YCP 0.9095
95 XLS 0.9094
96 FOC 0.9094
97 FBV 0.9094
98 VAL 0.9093
99 3SL 0.9092
100 1Y6 0.9091
101 DYA 0.9090
102 IDM 0.9089
103 5AC 0.9087
104 XUL 0.9086
105 PRO 0.9086
106 3NT 0.9085
107 TFB 0.9084
108 5FX 0.9083
109 RB0 0.9082
110 RB5 0.9082
111 XYL 0.9082
112 P72 0.9078
113 HSE 0.9077
114 URQ 0.9076
115 ARB 0.9076
116 RNT 0.9075
117 ES6 0.9074
118 KIV 0.9072
119 THE 0.9071
120 152 0.9070
121 OKG 0.9070
122 OEM 0.9067
123 HBA 0.9067
124 DGN 0.9065
125 3U4 0.9064
126 TB6 0.9063
127 3OC 0.9062
128 4MV 0.9062
129 9X7 0.9059
130 1SH 0.9057
131 QDK 0.9057
132 HCS 0.9056
133 24B 0.9055
134 HBX 0.9054
135 OXQ 0.9052
136 SD4 0.9051
137 51F 0.9051
138 KYD 0.9048
139 4XR 0.9047
140 URP 0.9047
141 2MH 0.9046
142 AC0 0.9046
143 RBL 0.9045
144 9DG 0.9044
145 MPD 0.9041
146 F05 0.9040
147 3AB 0.9040
148 ORN 0.9039
149 SYN 0.9039
150 4JU 0.9039
151 ABN 0.9038
152 FOA 0.9038
153 TAR 0.9038
154 KOJ 0.9037
155 NMJ 0.9037
156 EHM 0.9036
157 Z82 0.9035
158 JZ5 0.9035
159 NLP 0.9034
160 GYE 0.9033
161 HYP 0.9032
162 INO 0.9032
163 BAE 0.9030
164 6JN 0.9030
165 GUN 0.9029
166 KMH 0.9028
167 2TQ 0.9028
168 GAB 0.9028
169 FB2 0.9025
170 MCT 0.9025
171 PAE 0.9024
172 FPI 0.9023
173 3SK 0.9023
174 4P0 0.9023
175 NLE 0.9022
176 2PC 0.9022
177 4MA 0.9022
178 4ZE 0.9021
179 EYK 0.9020
180 BHO 0.9019
181 8EW 0.9018
182 XAN 0.9018
183 PPR 0.9017
184 MLE 0.9015
185 TIU 0.9011
186 SNE 0.9009
187 FPY 0.9009
188 FBW 0.9008
189 MAK 0.9007
190 Q88 0.9007
191 HMH 0.9007
192 JZ3 0.9006
193 PYC 0.9006
194 QSC 0.9006
195 FBJ 0.9006
196 PGH 0.9006
197 CP 0.9004
198 MWM 0.9003
199 98J 0.9003
200 IZC 0.9003
201 DHS 0.9002
202 OVV 0.9001
203 EDG 0.9001
204 ISZ 0.8999
205 CDV 0.8999
206 HYA 0.8998
207 1MC 0.8998
208 2YU 0.8997
209 OK7 0.8997
210 GUA 0.8997
211 T2C 0.8996
212 KBB 0.8996
213 MRZ 0.8995
214 2AS 0.8995
215 PBZ 0.8995
216 9RW 0.8994
217 GBD 0.8993
218 0OC 0.8993
219 NBE 0.8993
220 A1U 0.8990
221 AKG 0.8989
222 1DU 0.8989
223 AMC 0.8989
224 RNS 0.8988
225 RHU 0.8988
226 OPE 0.8988
227 GZ3 0.8988
228 HH5 0.8987
229 4CS 0.8985
230 SMN 0.8984
231 2AL 0.8984
232 NMG 0.8983
233 RUJ 0.8982
234 282 0.8982
235 1SA 0.8981
236 4SV 0.8981
237 AHR 0.8980
238 3HB 0.8980
239 K34 0.8978
240 7N0 0.8976
241 OHG 0.8975
242 RSO 0.8973
243 C21 0.8972
244 9YL 0.8971
245 SHF 0.8971
246 NIZ 0.8971
247 FA0 0.8971
248 TDR 0.8970
249 AC5 0.8969
250 ORO 0.8967
251 AFS 0.8966
252 RUU 0.8966
253 AC6 0.8964
254 SS1 0.8963
255 SS2 0.8962
256 FAN 0.8961
257 192 0.8961
258 DOB 0.8960
259 R2B 0.8959
260 7WG 0.8959
261 TP5 0.8959
262 275 0.8959
263 HMU 0.8956
264 9X6 0.8956
265 A20 0.8955
266 2IT 0.8954
267 MYJ 0.8954
268 GLC 0.8953
269 HBD 0.8953
270 HZP 0.8952
271 DHB 0.8952
272 HT4 0.8952
273 53C 0.8951
274 GTQ 0.8950
275 4NC 0.8950
276 AHB 0.8949
277 5RG 0.8949
278 ZZT 0.8949
279 3FH 0.8948
280 VNJ 0.8948
281 9TZ 0.8947
282 PBE 0.8945
283 3HA 0.8945
284 SMV 0.8943
285 R8A 0.8942
286 XYD 0.8940
287 M4T 0.8939
288 LDU 0.8937
289 5CU 0.8937
290 KVP 0.8936
291 IT2 0.8936
292 HL5 0.8936
293 2HO 0.8935
294 IHG 0.8934
295 4VP 0.8934
296 3V4 0.8934
297 XBZ 0.8933
298 3S5 0.8933
299 NVA 0.8931
300 2AC 0.8931
301 3M0 0.8929
302 XCZ 0.8929
303 MUC 0.8927
304 1WD 0.8926
305 GLL 0.8925
306 DBH 0.8924
307 449 0.8923
308 IP0 0.8923
309 4P5 0.8920
310 FBA 0.8919
311 BNS 0.8919
312 SHA 0.8919
313 DAB 0.8918
314 NK 0.8918
315 QY9 0.8917
316 XSP 0.8917
317 LLQ 0.8916
318 PCT 0.8915
319 POP 0.8915
320 RMN 0.8913
321 G4D 0.8912
322 GLA 0.8910
323 3BZ 0.8908
324 PAC 0.8907
325 PHU 0.8907
326 PAH 0.8906
327 OHP 0.8906
328 G2H 0.8906
329 P9P 0.8905
330 PPV 0.8903
331 93K 0.8903
332 5M0 0.8903
333 TZE 0.8902
334 1AB 0.8901
335 R1X 0.8901
336 HIO 0.8900
337 34A 0.8899
338 1P3 0.8897
339 N7P 0.8897
340 VAH 0.8896
341 HY1 0.8896
342 SW7 0.8894
343 FCR 0.8894
344 HX2 0.8893
345 54G 0.8892
346 GP9 0.8891
347 WOT 0.8890
348 MAN 0.8889
349 M58 0.8888
350 265 0.8887
351 IFM 0.8885
352 4M0 0.8884
353 X0V 0.8884
354 6M4 0.8884
355 2HG 0.8881
356 7WV 0.8880
357 5NU 0.8879
358 PIS 0.8879
359 S0H 0.8879
360 HIS 0.8878
361 JBE 0.8877
362 EKZ 0.8877
363 PLU 0.8876
364 QOS 0.8874
365 2MP 0.8873
366 BE7 0.8870
367 IMR 0.8869
368 R67 0.8869
369 8OZ 0.8869
370 ROR 0.8868
371 3AL 0.8866
372 URS 0.8866
373 ABE 0.8866
374 3F0 0.8865
375 GRO 0.8865
376 8GC 0.8864
377 SKM 0.8864
378 EDR 0.8862
379 8EZ 0.8861
380 5HY 0.8859
381 MED 0.8856
382 14J 0.8855
383 273 0.8854
384 SJ5 0.8851
385 CHB 0.8850
386 9TY 0.8848
387 PRS 0.8847
388 CXF 0.8847
389 H76 0.8847
390 PYJ 0.8846
391 DMV 0.8844
392 PM6 0.8843
393 HHA 0.8843
394 XM0 0.8842
395 I4B 0.8840
396 OGA 0.8840
397 286 0.8840
398 5HN 0.8838
399 PYF 0.8837
400 9TW 0.8837
401 2CK 0.8834
402 PYD 0.8833
403 0R0 0.8833
404 AKB 0.8833
405 DBX 0.8830
406 XBT 0.8830
407 NVI 0.8830
408 DGJ 0.8829
409 1MR 0.8829
410 HSM 0.8829
411 69O 0.8829
412 FP1 0.8828
413 TSU 0.8828
414 FBM 0.8827
415 278 0.8825
416 DEN 0.8825
417 SEP 0.8825
418 3MV 0.8825
419 ARW 0.8824
420 32O 0.8824
421 23W 0.8823
422 SVD 0.8822
423 MNN 0.8822
424 ALA ALA 0.8821
425 JZ9 0.8821
426 FQI 0.8821
427 280 0.8819
428 AT3 0.8819
429 ALO 0.8818
430 TPA 0.8817
431 Z6J 0.8816
432 B24 0.8814
433 271 0.8813
434 5OB 0.8813
435 BZF 0.8810
436 7VD 0.8808
437 XX3 0.8807
438 2PN 0.8807
439 GIF 0.8806
440 DOR 0.8806
441 H95 0.8806
442 BSX 0.8805
443 TZL 0.8803
444 ZBT 0.8803
445 R9S 0.8801
446 JZ4 0.8801
447 DHK 0.8800
448 ES4 0.8800
449 DTL 0.8799
450 D1X 0.8799
451 IND 0.8796
452 TPO 0.8795
453 ONL 0.8794
454 5MK 0.8794
455 1DJ 0.8793
456 APY 0.8792
457 173 0.8792
458 F9P 0.8792
459 7A8 0.8791
460 MLA 0.8791
461 IFP 0.8791
462 GLY GLY 0.8790
463 R9M 0.8790
464 2CO 0.8790
465 JZ7 0.8790
466 FUB 0.8790
467 261 0.8789
468 PC 0.8789
469 MDN 0.8787
470 CSS 0.8787
471 SOE 0.8785
472 BZI 0.8785
473 2K4 0.8785
474 911 0.8784
475 FA1 0.8784
476 3YP 0.8784
477 MET 0.8781
478 4JL 0.8780
479 AZF 0.8780
480 6CS 0.8778
481 SKJ 0.8777
482 AGK 0.8777
483 OXZ 0.8776
484 LER 0.8776
485 FEH 0.8775
486 PEL 0.8775
487 OXC 0.8775
488 34V 0.8774
489 JZ1 0.8770
490 PEA 0.8770
491 DMJ 0.8769
492 3PY 0.8769
493 97T 0.8768
494 6MP 0.8768
495 DAL DAL 0.8768
496 BHA 0.8766
497 GVH 0.8765
498 F60 0.8763
499 DGY 0.8761
500 ZGL 0.8761
501 DXX 0.8761
502 GBN 0.8761
503 I1E 0.8761
504 LZ1 0.8760
505 3PG 0.8758
506 RAT 0.8757
507 2KT 0.8757
508 9ON 0.8756
509 9HX 0.8756
510 0CT 0.8755
511 DS0 0.8754
512 23B 0.8753
513 41K 0.8752
514 10L 0.8750
515 ODV 0.8750
516 SAT 0.8750
517 PMF 0.8747
518 2DR 0.8746
519 52C 0.8746
520 XX2 0.8745
521 9DA 0.8742
522 717 0.8741
523 FAC 0.8739
524 WCE 0.8739
525 0R1 0.8739
526 9RH 0.8738
527 O7U 0.8737
528 T9G 0.8737
529 J1Z 0.8736
530 MXN 0.8735
531 A09 0.8735
532 MLI 0.8733
533 CHT 0.8733
534 14O 0.8733
535 7WA 0.8732
536 5H1 0.8729
537 PKU 0.8728
538 9EW 0.8728
539 MPI 0.8728
540 1LN 0.8724
541 4JP 0.8722
542 BP9 0.8722
543 OSE 0.8721
544 I2M 0.8721
545 2FT 0.8718
546 HSO 0.8718
547 SIF 0.8715
548 JLZ 0.8715
549 MD0 0.8715
550 SR1 0.8715
551 DYT 0.8714
552 QMP 0.8714
553 KKN 0.8714
554 ES0 0.8710
555 54D 0.8710
556 BP1 0.8709
557 MNM 0.8708
558 FW5 0.8707
559 GGL 0.8707
560 IFL 0.8702
561 CYS 0.8701
562 2XX 0.8701
563 069 0.8699
564 03W 0.8698
565 PG3 0.8697
566 FPK 0.8695
567 ASC 0.8694
568 BDF 0.8693
569 67N 0.8691
570 M1A 0.8691
571 270 0.8690
572 APG 0.8690
573 NNO 0.8689
574 GJZ 0.8687
575 SSN 0.8686
576 BDR 0.8684
577 6LW 0.8683
578 N2Z 0.8682
579 MRY 0.8682
580 6AI 0.8680
581 JAE 0.8679
582 PY7 0.8678
583 MSE 0.8677
584 2D0 0.8677
585 AX7 0.8676
586 0RW 0.8676
587 SMB 0.8674
588 RM1 0.8672
589 9CL 0.8668
590 M6W 0.8668
591 826 0.8667
592 BRT 0.8667
593 GLY PRO 0.8667
594 5MI 0.8666
595 CEE 0.8665
596 1SP 0.8664
597 AZA 0.8664
598 DSN 0.8663
599 LDP 0.8662
600 J9Q 0.8660
601 J9T 0.8659
602 PSJ 0.8656
603 DBB 0.8655
604 LNO 0.8653
605 XXG 0.8652
606 FJO 0.8649
607 SYG 0.8649
608 SPA 0.8647
609 IQ0 0.8646
610 2RA 0.8645
611 SER 0.8645
612 GLY ALA 0.8644
613 2MI 0.8643
614 IPB 0.8643
615 ISN 0.8642
616 SVN 0.8642
617 42C 0.8642
618 FHB 0.8641
619 5MB 0.8640
620 4A3 0.8637
621 S76 0.8636
622 P22 0.8635
623 6NA 0.8634
624 ABV 0.8632
625 CWM 0.8632
626 Q6T 0.8632
627 174 0.8627
628 GZL 0.8625
629 5RN 0.8622
630 DCL 0.8621
631 HDH 0.8620
632 23J 0.8619
633 TAU 0.8619
634 2LP 0.8617
635 MR1 0.8615
636 6M9 0.8614
637 DX4 0.8613
638 4NG 0.8613
639 5DI 0.8607
640 HIU 0.8607
641 IPM 0.8605
642 SX1 0.8602
643 CFP 0.8599
644 CIT 0.8599
645 ODO 0.8596
646 92K 0.8593
647 A3B 0.8592
648 GDE 0.8592
649 A2F 0.8591
650 HPS 0.8590
651 H8N 0.8589
652 L3Q 0.8587
653 CTL 0.8586
654 P92 0.8585
655 K6H 0.8582
656 PRZ 0.8580
657 NPY 0.8580
658 SYC 0.8578
659 11S 0.8577
660 QIC 0.8575
661 6GU 0.8573
662 NM3 0.8572
663 OMD 0.8571
664 3HM 0.8571
665 OTR 0.8570
666 GVG 0.8568
667 NDH 0.8568
668 ES9 0.8567
669 QUZ 0.8567
670 NOY 0.8561
671 34D 0.8556
672 DLY 0.8554
673 6M1 0.8554
674 LEA 0.8553
675 6AP 0.8553
676 ZXD 0.8544
677 7MU 0.8543
678 290 0.8542
679 141 0.8540
680 YRL 0.8537
681 TYL 0.8534
682 COM 0.8528
683 HCI 0.8522
684 FK1 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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