Receptor
PDB id Resolution Class Description Source Keywords
1i06 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH SEC-BUTYL-THIAZOLINE MUS MUSCULUS LIPOCALIN BETA-BARREL PHEROMONE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF PHEROMONE BINDING TO MOUSE MAJOR URINARY PROTEIN (MUP-I) PROTEIN SCI. V. 10 997 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:401;
A:402;
A:403;
A:404;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
112.411 Cd [Cd+2...
TZL A:405;
 Valid;
 none;
 submit data
141.234 C7 H11 N S CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I06 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH SEC-BUTYL-THIAZOLINE MUS MUSCULUS LIPOCALIN BETA-BARREL PHEROMONE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF PHEROMONE BINDING TO MOUSE MAJOR URINARY PROTEIN (MUP-I) PROTEIN SCI. V. 10 997 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1I06 - TZL C7 H11 N S CC[C@@H](C....
2 1I05 - LTL C8 H16 O2 CCC(=O)CCC....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1ZNH - OC9 C8 H18 O CCCCCCCCO
2 1JV4 - TZL C7 H11 N S CC[C@@H](C....
3 1ZNE - HE2 C6 H14 O CCCCCCO
4 1ZNL - DE1 C10 H22 O CCCCCCCCCC....
5 2DM5 Kd = 1011.8 uM ODI C8 H18 O2 C(CCCCO)CC....
6 1QY1 Kd = 0.3 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
7 1ZND - PE9 C5 H12 O CCCCCO
8 1ZNG - HE4 C7 H16 O CCCCCCCO
9 1QY2 Kd = 1.8 uM IPZ C8 H12 N2 O CC(C)c1c(n....
10 2NND Kd = 0.87 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
11 1MUP - TZL C7 H11 N S CC[C@@H](C....
12 1YP6 Kd = 0.47 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
13 3KFG - HTX C7 H14 O CCCCCC(=O)....
14 3KFI - 25R C6 H8 N2 Cc1cnc(cn1....
15 3KFF - XBT C7 H13 N S CC[C@@H](C....
16 3KFH - 2EH C8 H18 O CCCC[C@H](....
17 1I06 - TZL C7 H11 N S CC[C@@H](C....
18 1I05 - LTL C8 H16 O2 CCC(=O)CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1ZNH - OC9 C8 H18 O CCCCCCCCO
2 1I06 - TZL C7 H11 N S CC[C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TZL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TZL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TZL; Similar ligands found: 627
No: Ligand Similarity coefficient
1 DGJ 1.0000
2 ZBT 0.9897
3 BHO 0.9829
4 NIZ 0.9798
5 ISZ 0.9795
6 XBT 0.9790
7 CFI 0.9776
8 FEH 0.9776
9 FBJ 0.9765
10 I1E 0.9754
11 FBM 0.9742
12 54D 0.9732
13 1DJ 0.9726
14 MNN 0.9675
15 M6W 0.9668
16 MXN 0.9657
17 F9P 0.9647
18 SMV 0.9612
19 BEZ 0.9601
20 49F 0.9596
21 JZ5 0.9595
22 BEN 0.9577
23 HY1 0.9573
24 NCA 0.9563
25 OK7 0.9563
26 HSM 0.9558
27 2PC 0.9555
28 NTN 0.9555
29 TZC 0.9553
30 PYC 0.9550
31 CEE 0.9536
32 JBN 0.9530
33 BAM 0.9529
34 M58 0.9525
35 TP5 0.9521
36 NIO 0.9518
37 PRO 0.9509
38 SS1 0.9500
39 QSC 0.9491
40 FAN 0.9490
41 OAA 0.9487
42 TFB 0.9483
43 6PC 0.9483
44 PEA 0.9481
45 XRG 0.9478
46 BNS 0.9473
47 PZA 0.9470
48 HDA 0.9467
49 273 0.9463
50 FOA 0.9462
51 PBC 0.9461
52 NBZ 0.9460
53 GLY ALA 0.9455
54 GOJ 0.9452
55 SS2 0.9446
56 GRO 0.9444
57 UNU 0.9443
58 1DQ 0.9431
59 VGL 0.9424
60 CXF 0.9419
61 PEL 0.9415
62 PMB 0.9414
63 LEU 0.9408
64 RMN 0.9403
65 YCP 0.9395
66 K34 0.9393
67 173 0.9384
68 C21 0.9382
69 1DU 0.9375
70 SD4 0.9371
71 LER 0.9365
72 AL0 0.9364
73 271 0.9362
74 8OZ 0.9357
75 DTL 0.9357
76 XUL 0.9354
77 SPA 0.9354
78 FQI 0.9352
79 JZ7 0.9347
80 PKU 0.9344
81 IT2 0.9344
82 FB2 0.9344
83 PHU 0.9343
84 COI 0.9341
85 SMN 0.9339
86 3HL 0.9338
87 A09 0.9337
88 14J 0.9336
89 AC0 0.9328
90 51F 0.9326
91 RBL 0.9324
92 GLU 0.9322
93 GJZ 0.9320
94 5AC 0.9318
95 9RW 0.9316
96 TPA 0.9314
97 DE5 0.9308
98 QY9 0.9302
99 SAL 0.9300
100 DGN 0.9299
101 MLT 0.9299
102 PCA 0.9296
103 269 0.9295
104 FUM 0.9293
105 HBA 0.9293
106 URS 0.9290
107 SYN 0.9285
108 LMR 0.9282
109 SIN 0.9282
110 NYL 0.9281
111 ROR 0.9279
112 HYA 0.9278
113 268 0.9278
114 ORN 0.9277
115 40E 0.9275
116 NMG 0.9274
117 GAG 0.9274
118 717 0.9270
119 MRZ 0.9270
120 OKG 0.9270
121 ABN 0.9269
122 IOM 0.9266
123 GLY GLY 0.9264
124 HL5 0.9264
125 NPO 0.9264
126 SHA 0.9260
127 ASN 0.9258
128 23W 0.9256
129 ASP 0.9254
130 PRS 0.9253
131 PAC 0.9249
132 258 0.9246
133 PHB 0.9242
134 T2C 0.9240
135 98J 0.9236
136 SRT 0.9236
137 MAE 0.9235
138 RM1 0.9233
139 RSO 0.9232
140 XYL 0.9229
141 RB5 0.9229
142 RB0 0.9229
143 HSO 0.9229
144 AKG 0.9228
145 UY7 0.9227
146 2CO 0.9224
147 AMC 0.9223
148 XIY 0.9223
149 2HG 0.9217
150 OTR 0.9215
151 SYG 0.9214
152 HY3 0.9210
153 282 0.9210
154 RBJ 0.9209
155 MLI 0.9209
156 1Y6 0.9209
157 M3H 0.9208
158 VKC 0.9208
159 HIO 0.9207
160 MLA 0.9207
161 IHG 0.9206
162 TAR 0.9205
163 M4T 0.9204
164 BNF 0.9204
165 PYJ 0.9203
166 AEF 0.9202
167 GAB 0.9199
168 5FX 0.9199
169 JAB 0.9198
170 DPR 0.9197
171 P72 0.9197
172 45L 0.9196
173 RJY 0.9195
174 7C3 0.9193
175 T9G 0.9191
176 BP9 0.9190
177 KIV 0.9187
178 J9T 0.9184
179 1PT 0.9182
180 TEO 0.9179
181 XM0 0.9179
182 0OC 0.9179
183 069 0.9178
184 4VP 0.9178
185 60P 0.9176
186 7MU 0.9173
187 HDH 0.9173
188 YRL 0.9170
189 4FA 0.9170
190 264 0.9167
191 265 0.9164
192 JZ3 0.9163
193 JYD 0.9162
194 PBZ 0.9162
195 1M2 0.9161
196 KOJ 0.9161
197 HBX 0.9161
198 PG3 0.9159
199 2BG 0.9159
200 XLS 0.9158
201 I4B 0.9157
202 MZW 0.9156
203 TZE 0.9154
204 HIS 0.9153
205 3U4 0.9152
206 9CL 0.9151
207 PRA 0.9150
208 LT1 0.9149
209 HX2 0.9148
210 CP 0.9147
211 HYP 0.9145
212 OGA 0.9144
213 APY 0.9144
214 GUA 0.9142
215 3LR 0.9142
216 DYA 0.9142
217 MED 0.9142
218 IQ0 0.9140
219 THE 0.9136
220 IXW 0.9134
221 ES6 0.9133
222 S8V 0.9133
223 DAL DAL 0.9131
224 N4B 0.9131
225 MET 0.9131
226 MZ0 0.9129
227 9X7 0.9128
228 3PY 0.9127
229 FPI 0.9126
230 C5J 0.9119
231 7WG 0.9117
232 IVA 0.9117
233 AC6 0.9116
234 VNJ 0.9115
235 MR1 0.9115
236 2RH 0.9112
237 PZI 0.9111
238 FBA 0.9110
239 IZC 0.9108
240 KMT 0.9105
241 BE2 0.9105
242 ITN 0.9104
243 MLM 0.9104
244 S2G 0.9102
245 R9M 0.9102
246 JZ4 0.9099
247 DAS 0.9098
248 OXQ 0.9096
249 K7M 0.9094
250 H95 0.9093
251 VAH 0.9092
252 3HB 0.9090
253 DTT 0.9089
254 7N0 0.9089
255 MUC 0.9088
256 QDK 0.9085
257 ABU 0.9083
258 IP0 0.9083
259 TLA 0.9082
260 JKE 0.9082
261 LLQ 0.9081
262 1WD 0.9076
263 AAE 0.9076
264 CRN 0.9074
265 CMS 0.9070
266 1DV 0.9067
267 NLE 0.9065
268 PEP 0.9065
269 4JT 0.9065
270 PO6 0.9062
271 MRY 0.9062
272 4SD 0.9062
273 B24 0.9059
274 DCL 0.9055
275 HSE 0.9055
276 BSX 0.9054
277 3SL 0.9054
278 IPU 0.9053
279 1SA 0.9050
280 BVC 0.9050
281 RNS 0.9048
282 DHR 0.9047
283 NMJ 0.9047
284 FB1 0.9046
285 G3P 0.9046
286 ALA ALA 0.9046
287 PIY 0.9045
288 GLY CYS 0.9044
289 GBD 0.9043
290 OPE 0.9039
291 GLN 0.9039
292 7A8 0.9039
293 THR 0.9038
294 3OC 0.9037
295 53C 0.9037
296 HCS 0.9037
297 NF3 0.9037
298 3AB 0.9035
299 AC5 0.9034
300 NXA 0.9033
301 UGC 0.9033
302 HTX 0.9032
303 HHH 0.9032
304 7VD 0.9032
305 3SK 0.9031
306 SW7 0.9030
307 DGL 0.9028
308 FBV 0.9028
309 PGA 0.9027
310 S0H 0.9024
311 1MR 0.9023
312 9J3 0.9022
313 3HR 0.9022
314 8GC 0.9020
315 JFJ 0.9019
316 2EZ 0.9019
317 261 0.9018
318 PYF 0.9018
319 DTU 0.9017
320 ILE 0.9017
321 GGL 0.9016
322 2IT 0.9016
323 NVI 0.9015
324 P2D 0.9014
325 2LP 0.9013
326 DAV 0.9012
327 URP 0.9011
328 HBD 0.9011
329 6NA 0.9008
330 LEA 0.9008
331 CIZ 0.9008
332 PBA 0.9006
333 4CS 0.9004
334 TB6 0.9002
335 4VY 0.9002
336 9ON 0.9002
337 HVQ 0.9000
338 PIM 0.8993
339 KG7 0.8993
340 EHM 0.8992
341 PY7 0.8992
342 DMG 0.8992
343 BE7 0.8990
344 DQY 0.8989
345 DMV 0.8989
346 6JN 0.8986
347 69O 0.8986
348 BHH 0.8985
349 PAF 0.8982
350 J0Z 0.8981
351 NBE 0.8981
352 SYM 0.8980
353 4HP 0.8980
354 2KT 0.8978
355 RUU 0.8978
356 HZP 0.8977
357 CXP 0.8977
358 PG0 0.8977
359 FK8 0.8974
360 1LN 0.8973
361 4JL 0.8973
362 ONL 0.8972
363 1P3 0.8971
364 FP1 0.8970
365 NCT 0.8970
366 13P 0.8969
367 URQ 0.8968
368 SHO 0.8968
369 23J 0.8968
370 BVG 0.8967
371 ABV 0.8967
372 G2H 0.8965
373 NVA 0.8964
374 RNT 0.8962
375 KPL 0.8961
376 SHF 0.8956
377 OHG 0.8956
378 UYA 0.8953
379 A29 0.8953
380 K6H 0.8951
381 APG 0.8950
382 DAB 0.8946
383 PAE 0.8943
384 HL4 0.8942
385 SAF 0.8942
386 PMF 0.8941
387 7VP 0.8939
388 FOC 0.8939
389 WCE 0.8939
390 SSB 0.8938
391 KMH 0.8938
392 DHI 0.8936
393 G3H 0.8935
394 8K2 0.8934
395 SER 0.8934
396 RUY 0.8933
397 TYL 0.8932
398 9YL 0.8930
399 MEQ 0.8928
400 4MV 0.8928
401 B40 0.8927
402 FCR 0.8927
403 SPV 0.8924
404 URO 0.8923
405 92K 0.8923
406 HHI 0.8922
407 CSS 0.8922
408 PBN 0.8921
409 LNR 0.8920
410 Q02 0.8918
411 0VT 0.8917
412 ALO 0.8917
413 MPD 0.8915
414 DEE 0.8915
415 LDP 0.8913
416 LYS 0.8911
417 PAH 0.8910
418 4JM 0.8909
419 P9P 0.8909
420 HC4 0.8906
421 R9S 0.8906
422 SYC 0.8905
423 BUB 0.8903
424 K6V 0.8902
425 HCI 0.8902
426 GP9 0.8901
427 PRY 0.8901
428 VAL 0.8901
429 4NC 0.8901
430 TIU 0.8901
431 MSE 0.8898
432 PRI 0.8895
433 PEQ 0.8893
434 PHE 0.8892
435 GVG 0.8890
436 KTA 0.8889
437 MEV 0.8889
438 AAS 0.8889
439 9X6 0.8886
440 GLL 0.8885
441 SC2 0.8883
442 SAN 0.8882
443 B09 0.8879
444 TSU 0.8878
445 7WV 0.8878
446 51R 0.8877
447 DBH 0.8877
448 JF6 0.8875
449 1L5 0.8875
450 C2B 0.8875
451 4PN 0.8874
452 R67 0.8872
453 EDR 0.8872
454 3QM 0.8871
455 8EW 0.8871
456 AEG 0.8870
457 SNE 0.8870
458 1GP 0.8869
459 BCU 0.8869
460 0V5 0.8868
461 XCZ 0.8867
462 4SV 0.8867
463 PPR 0.8866
464 2AS 0.8865
465 2PG 0.8864
466 JZ1 0.8864
467 J9N 0.8863
468 I38 0.8861
469 LTL 0.8860
470 B85 0.8860
471 5MB 0.8859
472 ACA 0.8859
473 AHB 0.8858
474 PZM 0.8858
475 1AB 0.8856
476 SGL 0.8854
477 CYS 0.8854
478 DYT 0.8852
479 2FT 0.8849
480 GG6 0.8848
481 LNO 0.8847
482 3M0 0.8846
483 PGH 0.8844
484 PCT 0.8844
485 MLE 0.8842
486 DHB 0.8842
487 3F0 0.8842
488 HX4 0.8840
489 Q03 0.8840
490 FW5 0.8837
491 GZ3 0.8837
492 TIH 0.8835
493 2AL 0.8831
494 N6C 0.8830
495 3YP 0.8828
496 DXX 0.8828
497 3HG 0.8826
498 1KA 0.8825
499 1SH 0.8824
500 CCB 0.8824
501 YZM 0.8824
502 1CO 0.8823
503 GBN 0.8816
504 PPY 0.8815
505 2MI 0.8815
506 6FZ 0.8812
507 1SP 0.8810
508 HFA 0.8807
509 AKB 0.8806
510 5XB 0.8806
511 ICF 0.8803
512 SKG 0.8801
513 ZGL 0.8799
514 AOT 0.8798
515 SEP 0.8796
516 S2P 0.8795
517 FBW 0.8791
518 HPS 0.8790
519 3OL 0.8790
520 42J 0.8790
521 L99 0.8789
522 SAT 0.8788
523 O45 0.8788
524 AG2 0.8786
525 SSN 0.8786
526 QMP 0.8785
527 A8C 0.8785
528 DS0 0.8784
529 3HA 0.8784
530 DSN 0.8782
531 2F6 0.8782
532 129 0.8782
533 2FY 0.8782
534 263 0.8779
535 OEM 0.8773
536 3AL 0.8768
537 C2A 0.8762
538 A3M 0.8761
539 DPF 0.8760
540 SME 0.8755
541 4J8 0.8753
542 3PP 0.8753
543 AHN 0.8753
544 MS9 0.8751
545 FBS 0.8747
546 YPN 0.8745
547 SHI 0.8745
548 O7U 0.8745
549 ASC 0.8742
550 97T 0.8739
551 ACH 0.8739
552 LYN 0.8738
553 ICB 0.8736
554 KDG 0.8736
555 R2B 0.8736
556 R2P 0.8735
557 3HP 0.8735
558 DHS 0.8734
559 DBB 0.8734
560 FSG 0.8732
561 BPW 0.8731
562 0JD 0.8731
563 O8Y 0.8730
564 FA1 0.8726
565 OHP 0.8723
566 X1S 0.8722
567 3C4 0.8720
568 AOS 0.8720
569 MES 0.8718
570 I2M 0.8717
571 HQJ 0.8713
572 4XR 0.8713
573 ODO 0.8712
574 GLO 0.8697
575 R1X 0.8697
576 KDF 0.8691
577 AMS 0.8689
578 8GL 0.8688
579 PSE 0.8688
580 2D8 0.8686
581 F4E 0.8685
582 BNL 0.8675
583 J9Q 0.8674
584 34V 0.8674
585 DPN 0.8672
586 XSP 0.8671
587 LYL 0.8669
588 FUD 0.8663
589 H8N 0.8662
590 SOR 0.8660
591 MPV 0.8659
592 A20 0.8658
593 BHL 0.8656
594 N2Z 0.8654
595 5HY 0.8644
596 DIR 0.8643
597 3BU 0.8641
598 DHY 0.8638
599 L5V 0.8637
600 M45 0.8631
601 TT4 0.8630
602 3PG 0.8629
603 MTL 0.8623
604 TAG 0.8620
605 HIU 0.8616
606 46P 0.8614
607 GZQ 0.8611
608 6TZ 0.8610
609 278 0.8609
610 AT3 0.8602
611 5QY 0.8600
612 9RH 0.8591
613 PH3 0.8590
614 B2J 0.8588
615 CYX 0.8587
616 DE2 0.8581
617 HPV 0.8581
618 SJ5 0.8581
619 SDD 0.8578
620 1A7 0.8576
621 HNH 0.8572
622 JRB 0.8558
623 I3E 0.8552
624 SOL 0.8549
625 4LV 0.8542
626 SN4 0.8525
627 3S5 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I06; Ligand: TZL; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1i06.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1DZK PRZ 47.7707
2 1DZK PRZ 47.7707
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