Receptor
PDB id Resolution Class Description Source Keywords
3ix1 2.4 Å NON-ENZYME: OTHER PERIPLASMIC N-FORMYL-4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDIN PROTEIN FROM BACILLUS HALODURANS BACILLUS HALODURANS C-125 PERIPLASMIC N-FORMYL-4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINPROTEIN THIAMINE BIOSYNTHESIS BIOSYNTHETIC PROTEIN
Ref.: HMP BINDING PROTEIN THIY AND HMP-P SYNTHASE THI5 AR STRUCTURAL HOMOLOGUES. BIOCHEMISTRY V. 49 8929 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NFM A:401;
B:401;
 Valid;
Valid;
 none;
none;
 Kd = 200 nM
166.18 C7 H10 N4 O Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IX1 2.4 Å NON-ENZYME: OTHER PERIPLASMIC N-FORMYL-4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDIN PROTEIN FROM BACILLUS HALODURANS BACILLUS HALODURANS C-125 PERIPLASMIC N-FORMYL-4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINPROTEIN THIAMINE BIOSYNTHESIS BIOSYNTHETIC PROTEIN
Ref.: HMP BINDING PROTEIN THIY AND HMP-P SYNTHASE THI5 AR STRUCTURAL HOMOLOGUES. BIOCHEMISTRY V. 49 8929 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3IX1 Kd = 200 nM NFM C7 H10 N4 O Cc1ncc(c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3IX1 Kd = 200 nM NFM C7 H10 N4 O Cc1ncc(c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3IX1 Kd = 200 nM NFM C7 H10 N4 O Cc1ncc(c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NFM; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NFM 1 1
2 NSP 0.52381 0.891892
3 HMH 0.511628 0.804878
4 YF3 0.509804 0.717391
5 PF1 0.462963 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: NFM; Similar ligands found: 697
No: Ligand Similarity coefficient
1 BPW 0.9615
2 CFA 0.9597
3 S24 0.9573
4 5OO 0.9561
5 HC4 0.9537
6 1LN 0.9520
7 4HP 0.9508
8 K82 0.9483
9 2LP 0.9476
10 0LH 0.9468
11 TYR 0.9465
12 2FY 0.9459
13 RBJ 0.9457
14 6FZ 0.9446
15 TYL 0.9428
16 AEF 0.9419
17 YPN 0.9412
18 9R5 0.9398
19 LDP 0.9398
20 TSS 0.9397
21 MS9 0.9395
22 TYE 0.9392
23 IAC 0.9390
24 4FA 0.9389
25 YRL 0.9385
26 TSR 0.9384
27 AHC 0.9382
28 261 0.9376
29 P7Y 0.9376
30 ICB 0.9374
31 OHP 0.9371
32 J6W 0.9368
33 F06 0.9360
34 GO2 0.9359
35 HPP 0.9356
36 SBK 0.9349
37 DHY 0.9345
38 86L 0.9344
39 1M2 0.9342
40 XIY 0.9342
41 NYL 0.9342
42 FP1 0.9342
43 HWD 0.9337
44 EV0 0.9334
45 263 0.9332
46 AEG 0.9332
47 92P 0.9324
48 535 0.9324
49 PRY 0.9320
50 42J 0.9317
51 F52 0.9317
52 ESP 0.9316
53 HHT 0.9314
54 UNJ 0.9314
55 PH3 0.9312
56 3ZB 0.9304
57 ODO 0.9301
58 BSX 0.9298
59 MP5 0.9296
60 GZQ 0.9293
61 2HC 0.9292
62 2AL 0.9289
63 MQB 0.9279
64 3C4 0.9264
65 ES2 0.9262
66 ESX 0.9257
67 1F1 0.9256
68 P81 0.9254
69 OHJ 0.9253
70 363 0.9250
71 P80 0.9248
72 7MX 0.9244
73 8NB 0.9243
74 PPT 0.9240
75 RNO 0.9240
76 IOP 0.9236
77 R9S 0.9232
78 NAG 0.9232
79 SNO 0.9230
80 QBM 0.9229
81 4BY 0.9229
82 PNZ 0.9228
83 HHH 0.9227
84 KP6 0.9226
85 AX3 0.9226
86 HDH 0.9219
87 8XL 0.9219
88 SHA 0.9217
89 S0W 0.9217
90 BNF 0.9216
91 KYA 0.9215
92 DJN 0.9208
93 EPR 0.9205
94 0HN 0.9203
95 TCA 0.9199
96 61M 0.9197
97 B41 0.9192
98 OTR 0.9192
99 5LA 0.9190
100 36M 0.9189
101 N4B 0.9189
102 6NT 0.9189
103 A7H 0.9187
104 92K 0.9185
105 JZ4 0.9185
106 XIZ 0.9180
107 NVU 0.9177
108 TGX 0.9177
109 CWJ 0.9176
110 XEN 0.9176
111 505 0.9176
112 F90 0.9174
113 GWM 0.9174
114 264 0.9174
115 3A9 0.9172
116 3VX 0.9172
117 PRA 0.9171
118 8ZE 0.9170
119 MSR 0.9170
120 EYV 0.9168
121 0HO 0.9167
122 2CL 0.9163
123 BZ3 0.9162
124 6KT 0.9157
125 EN1 0.9156
126 I3E 0.9155
127 NGA 0.9153
128 FTV 0.9152
129 CPZ 0.9152
130 GB4 0.9151
131 JB8 0.9150
132 2ZM 0.9149
133 268 0.9148
134 HCI 0.9147
135 N2I 0.9146
136 BCU 0.9145
137 BK9 0.9144
138 IPB 0.9143
139 5WZ 0.9141
140 2C2 0.9141
141 PQZ 0.9139
142 F4E 0.9139
143 ENO 0.9138
144 DTY 0.9138
145 PFF 0.9136
146 LT1 0.9136
147 9BF 0.9136
148 PLR 0.9134
149 2BG 0.9131
150 MR1 0.9130
151 3NY 0.9130
152 ALE 0.9129
153 I2E 0.9128
154 2FX 0.9123
155 2BX 0.9123
156 DHR 0.9123
157 HL4 0.9120
158 TYC 0.9118
159 OQC 0.9117
160 4YO 0.9117
161 B2J 0.9111
162 IOS 0.9109
163 PH2 0.9109
164 AMR 0.9109
165 54Z 0.9108
166 FWD 0.9106
167 HBA 0.9105
168 HY1 0.9104
169 5XC 0.9103
170 QUS 0.9102
171 OW7 0.9102
172 SRO 0.9102
173 SNU 0.9102
174 DI6 0.9100
175 6VD 0.9100
176 DHC 0.9099
177 NIZ 0.9099
178 ANN 0.9099
179 4BF 0.9095
180 PO6 0.9095
181 TZE 0.9092
182 JYT 0.9092
183 XQI 0.9090
184 NQH 0.9088
185 LYL 0.9087
186 DOB 0.9086
187 57O 0.9086
188 6HP 0.9086
189 CWD 0.9083
190 LNR 0.9080
191 APS 0.9078
192 HMU 0.9078
193 NOJ 0.9078
194 24B 0.9077
195 FK8 0.9076
196 271 0.9076
197 JDN 0.9075
198 JXK 0.9074
199 6NI 0.9074
200 ST3 0.9074
201 36Y 0.9072
202 5OB 0.9071
203 ZON 0.9071
204 K7M 0.9070
205 SR1 0.9070
206 MTL 0.9069
207 GLC 0.9067
208 FDR 0.9065
209 QH3 0.9063
210 ZZZ 0.9062
211 PAC 0.9061
212 ISZ 0.9058
213 FA0 0.9058
214 A5E 0.9058
215 TRP 0.9057
216 B40 0.9054
217 PRZ 0.9054
218 9ZE 0.9053
219 DEW 0.9053
220 94W 0.9052
221 H4E 0.9051
222 15N 0.9051
223 AS3 0.9051
224 4NC 0.9050
225 IWD 0.9050
226 AAN 0.9049
227 ARP 0.9049
228 PHI 0.9048
229 1L5 0.9048
230 OGA 0.9047
231 4I8 0.9047
232 BWD 0.9047
233 8H8 0.9046
234 MD6 0.9045
235 PQ0 0.9045
236 CXH 0.9044
237 TNX 0.9043
238 PEA 0.9043
239 PLP 0.9042
240 0JD 0.9041
241 PEL 0.9041
242 8WT 0.9040
243 2LY 0.9039
244 5NI 0.9039
245 8WO 0.9039
246 PMP 0.9038
247 AMH 0.9037
248 92G 0.9036
249 JND 0.9035
250 YIE 0.9035
251 DAH 0.9035
252 ISA 0.9032
253 AKG 0.9032
254 MNP 0.9031
255 FYU 0.9031
256 8U3 0.9031
257 TH7 0.9030
258 1A7 0.9030
259 PHE 0.9029
260 FUD 0.9029
261 8GK 0.9028
262 NOK 0.9028
263 0A1 0.9028
264 IFG 0.9026
265 ZZT 0.9025
266 0FN 0.9025
267 RM1 0.9023
268 PPY 0.9022
269 6ZX 0.9021
270 717 0.9019
271 3DM 0.9019
272 4XV 0.9018
273 4VY 0.9017
274 BHA 0.9016
275 BPN 0.9015
276 TPA 0.9011
277 LTN 0.9010
278 BHO 0.9010
279 K2T 0.9010
280 HHR 0.9007
281 C2Y 0.9003
282 F4K 0.9002
283 PRO GLY 0.9001
284 QY9 0.8997
285 KTW 0.8997
286 CH9 0.8995
287 ASC 0.8993
288 4M0 0.8992
289 IT9 0.8992
290 E7S 0.8991
291 EMZ 0.8991
292 5CU 0.8990
293 W81 0.8990
294 E5X 0.8989
295 Y3L 0.8989
296 N7I 0.8989
297 PZM 0.8989
298 23J 0.8987
299 TT4 0.8986
300 A2G 0.8983
301 FEH 0.8983
302 258 0.8981
303 BQ2 0.8981
304 4XS 0.8980
305 MUC 0.8979
306 3AL 0.8978
307 QBK 0.8973
308 CIY 0.8972
309 2UB 0.8971
310 JXW 0.8971
311 M5H 0.8970
312 STT 0.8965
313 54E 0.8965
314 N91 0.8965
315 M4E 0.8964
316 6N4 0.8964
317 E1P 0.8963
318 2KA 0.8963
319 MQN 0.8962
320 PRF 0.8960
321 HIS 0.8959
322 657 0.8958
323 JXZ 0.8957
324 ASO 0.8957
325 HXY 0.8956
326 CLU 0.8954
327 TB8 0.8954
328 52C 0.8953
329 SHI 0.8952
330 KDV 0.8952
331 NDG 0.8952
332 AES 0.8950
333 2K8 0.8949
334 KMY 0.8949
335 VM1 0.8949
336 MMS 0.8948
337 MAJ 0.8947
338 N9J 0.8946
339 SAF 0.8946
340 4VP 0.8945
341 1QP 0.8943
342 PBA 0.8943
343 BBK 0.8942
344 4NM 0.8942
345 9VQ 0.8942
346 UA5 0.8942
347 44V 0.8939
348 SDF 0.8939
349 HFA 0.8939
350 A7N 0.8938
351 L1O 0.8937
352 I3A 0.8937
353 AFR 0.8936
354 259 0.8934
355 3H2 0.8934
356 EUE 0.8932
357 GLO 0.8931
358 J0Z 0.8930
359 M3Q 0.8930
360 TMG 0.8929
361 HPT 0.8929
362 GLU 0.8928
363 FBM 0.8928
364 AMQ 0.8927
365 C1M 0.8927
366 TXW 0.8924
367 OKM 0.8923
368 YZM 0.8922
369 327 0.8922
370 51F 0.8921
371 FPL 0.8921
372 CXP 0.8920
373 M3H 0.8919
374 DEE 0.8918
375 069 0.8917
376 QMS 0.8914
377 PBN 0.8912
378 C82 0.8912
379 L99 0.8911
380 TAG 0.8911
381 PD2 0.8908
382 4AA 0.8907
383 H7Y 0.8906
384 XAZ 0.8905
385 DIE 0.8904
386 MJ5 0.8904
387 CEE 0.8904
388 NFA 0.8904
389 YOF 0.8903
390 BGC 0.8903
391 4ME 0.8902
392 4JT 0.8902
393 K4V 0.8902
394 3N1 0.8900
395 8W9 0.8897
396 NPA 0.8897
397 9F8 0.8896
398 B3U 0.8895
399 S0E 0.8892
400 4TU 0.8891
401 4NS 0.8889
402 K3Q 0.8889
403 ROR 0.8887
404 Q9Z 0.8887
405 5O6 0.8885
406 CH8 0.8885
407 ORN 0.8883
408 PSJ 0.8883
409 BY5 0.8883
410 PLP PMP 0.8883
411 PZP 0.8883
412 5WU 0.8881
413 PHU 0.8879
414 88L 0.8877
415 5HY 0.8876
416 4BL 0.8876
417 S7G 0.8874
418 CLW 0.8874
419 97T 0.8873
420 L21 0.8873
421 CXF 0.8872
422 X04 0.8872
423 3IL 0.8871
424 IYR 0.8870
425 XDE 0.8870
426 DDU 0.8868
427 0TU 0.8868
428 HIC 0.8867
429 VGD 0.8867
430 TL6 0.8865
431 N2Z 0.8865
432 GXY 0.8862
433 SSB 0.8861
434 B85 0.8859
435 1SV 0.8858
436 GLN 0.8858
437 PXP 0.8857
438 BEU 0.8856
439 F9Y 0.8856
440 EYJ 0.8854
441 BRH 0.8851
442 4AV 0.8850
443 4NP 0.8850
444 J9Q 0.8849
445 G6P 0.8848
446 4Z9 0.8845
447 SYE 0.8844
448 80G 0.8844
449 DTR 0.8844
450 OW4 0.8844
451 44W 0.8843
452 I1E 0.8843
453 YTX 0.8842
454 2IT 0.8840
455 DPN 0.8840
456 6DP 0.8837
457 XYL 0.8836
458 1BN 0.8835
459 ONH 0.8834
460 EV3 0.8832
461 SSC 0.8831
462 4OG 0.8831
463 YI6 0.8830
464 4CF 0.8827
465 R9M 0.8826
466 VOH 0.8825
467 FER 0.8825
468 HSX 0.8825
469 GSY 0.8824
470 HNK 0.8824
471 II6 0.8822
472 2QC 0.8821
473 N4E 0.8820
474 JFJ 0.8819
475 TU0 0.8819
476 492 0.8818
477 HJH 0.8817
478 SOR 0.8817
479 OVM 0.8816
480 R9J 0.8814
481 NF3 0.8814
482 4MB 0.8812
483 3RI 0.8812
484 1FD 0.8810
485 F34 0.8809
486 KTA 0.8808
487 EGR 0.8808
488 DVQ 0.8807
489 GDL 0.8807
490 OOG 0.8806
491 NGT 0.8804
492 HNL 0.8803
493 E4P 0.8803
494 AEH 0.8802
495 J9T 0.8802
496 HA5 0.8801
497 ST2 0.8801
498 EXR 0.8800
499 TZM 0.8800
500 KDG 0.8799
501 54X 0.8798
502 4FE 0.8796
503 TOH 0.8796
504 2F6 0.8795
505 XI7 0.8794
506 FF2 0.8794
507 C2B 0.8791
508 3EB 0.8791
509 F9P 0.8791
510 JRB 0.8791
511 JF2 0.8791
512 RNS 0.8790
513 BG6 0.8790
514 AOS 0.8787
515 LTM 0.8787
516 LSQ 0.8787
517 3TC 0.8786
518 36R 0.8785
519 7C3 0.8785
520 A3M 0.8784
521 P9E 0.8782
522 ABF 0.8781
523 6Q3 0.8780
524 2KU 0.8779
525 CS2 0.8778
526 ZZ2 0.8777
527 JYK 0.8777
528 3QM 0.8777
529 GT4 0.8776
530 JAW 0.8773
531 2O8 0.8772
532 KG1 0.8772
533 82I 0.8771
534 NGW 0.8771
535 MS0 0.8771
536 NSG 0.8770
537 ITW 0.8769
538 EUH 0.8769
539 EOL 0.8769
540 JY2 0.8768
541 5XB 0.8767
542 LYS 0.8764
543 7HQ 0.8762
544 S2P 0.8761
545 BL0 0.8761
546 SDD 0.8761
547 DGJ 0.8759
548 LPK 0.8758
549 1BW 0.8758
550 2EC 0.8757
551 4BX 0.8757
552 PNP 0.8754
553 I4B 0.8754
554 FBA 0.8754
555 4LV 0.8753
556 CTE 0.8752
557 0FK 0.8751
558 2A9 0.8750
559 GNL 0.8750
560 SLS 0.8750
561 S8V 0.8749
562 JXT 0.8749
563 CUW 0.8746
564 5RP 0.8744
565 RVE 0.8744
566 IPD 0.8743
567 9VZ 0.8742
568 DEZ 0.8741
569 2HU 0.8740
570 5WN 0.8736
571 SYC 0.8736
572 3LJ 0.8733
573 FT6 0.8731
574 IFL 0.8730
575 7MU 0.8729
576 14W 0.8728
577 F5C 0.8728
578 BZQ 0.8728
579 4XF 0.8726
580 OIA 0.8726
581 E1T 0.8726
582 4LW 0.8725
583 NOY 0.8724
584 C9E 0.8724
585 4Z1 0.8723
586 A6P 0.8721
587 GO8 0.8720
588 4ZD 0.8718
589 M5E 0.8717
590 C53 0.8716
591 5JL 0.8714
592 9UL 0.8713
593 Z13 0.8713
594 C0W 0.8711
595 FIX 0.8710
596 PPN 0.8710
597 56D 0.8709
598 IV2 0.8708
599 N3W 0.8707
600 EYY 0.8707
601 MQG 0.8707
602 O2Y 0.8702
603 CX4 0.8702
604 5F5 0.8700
605 49F 0.8700
606 HLP 0.8694
607 GC3 0.8692
608 GVY 0.8692
609 2CZ 0.8691
610 F69 0.8690
611 2LT 0.8690
612 MIG 0.8687
613 ISD 0.8685
614 E0O 0.8683
615 3BU 0.8682
616 O45 0.8681
617 EQW 0.8680
618 3XR 0.8679
619 LZM 0.8679
620 DUR 0.8679
621 MAG 0.8677
622 LTT 0.8672
623 GLP 0.8672
624 NBV 0.8671
625 SN4 0.8671
626 RBL 0.8669
627 55D 0.8667
628 33S 0.8667
629 PQK 0.8667
630 EE8 0.8665
631 R9Y 0.8665
632 LVD 0.8662
633 6C5 0.8659
634 78U 0.8658
635 89J 0.8657
636 BM3 0.8654
637 2HQ 0.8654
638 9FH 0.8653
639 QDK 0.8653
640 42A 0.8652
641 JZ7 0.8652
642 RB5 0.8650
643 RQD 0.8650
644 7O4 0.8647
645 M6H 0.8646
646 4AF 0.8646
647 RNT 0.8641
648 4JM 0.8641
649 EWG 0.8641
650 TIH 0.8635
651 AVO 0.8633
652 4R1 0.8629
653 9LI 0.8628
654 BNX 0.8626
655 BB4 0.8626
656 M6Z 0.8625
657 TRC 0.8625
658 RAT 0.8622
659 6J5 0.8619
660 3W8 0.8616
661 4TB 0.8615
662 M74 0.8615
663 HF2 0.8615
664 GGL 0.8611
665 H4B 0.8608
666 ZIP 0.8606
667 D6G 0.8604
668 Y4L 0.8601
669 ENG 0.8599
670 4Z3 0.8599
671 7MW 0.8596
672 GC2 0.8595
673 96Z 0.8595
674 KYN 0.8595
675 SNG 0.8591
676 P0P 0.8588
677 R2P 0.8588
678 FWB 0.8588
679 S0F 0.8584
680 6HO 0.8578
681 DIR 0.8574
682 JBZ 0.8565
683 N8Y 0.8565
684 DER 0.8562
685 GZ2 0.8559
686 SJK 0.8557
687 DTE 0.8557
688 4JE 0.8556
689 I4D 0.8552
690 ZYX 0.8543
691 EXL 0.8540
692 6C9 0.8538
693 7BC 0.8538
694 HYA 0.8534
695 UN1 0.8531
696 F1X 0.8520
697 HHI 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IX1; Ligand: NFM; 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: 3ix1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3IX1; Ligand: NFM; 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: 3ix1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IX1; Ligand: NFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3ix1.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3IX1; Ligand: NFM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3ix1.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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