Receptor
PDB id Resolution Class Description Source Keywords
4IDT 2.4 Å EC: 2.7.11.25 CRYSTAL STRUCTURE OF NIK WITH 11-BROMO-5,6,7,8-TETRAHYDROPYR 5':3,4]CYCLOHEPTA[1,2-B]INDOL-2-AMINE (T28) HOMO SAPIENS NIK NUCLEAR FACTOR (NF)-KB P100 PROCESSING 2-AMINOPYRIMIDTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: INHIBITING NF-KB-INDUCING KINASE (NIK): DISCOVERY, STRUCTURE-BASED DESIGN, SYNTHESIS, STRUCTURE ACTIVI RELATIONSHIP, AND CO-CRYSTAL STRUCTURES BIOORG.MED.CHEM.LETT. V. 23 1238 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T28 B:701;
A:701;
Valid;
Valid;
none;
none;
ic50 = 0.1 uM
329.195 C15 H13 Br N4 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IDT 2.4 Å EC: 2.7.11.25 CRYSTAL STRUCTURE OF NIK WITH 11-BROMO-5,6,7,8-TETRAHYDROPYR 5':3,4]CYCLOHEPTA[1,2-B]INDOL-2-AMINE (T28) HOMO SAPIENS NIK NUCLEAR FACTOR (NF)-KB P100 PROCESSING 2-AMINOPYRIMIDTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: INHIBITING NF-KB-INDUCING KINASE (NIK): DISCOVERY, STRUCTURE-BASED DESIGN, SYNTHESIS, STRUCTURE ACTIVI RELATIONSHIP, AND CO-CRYSTAL STRUCTURES BIOORG.MED.CHEM.LETT. V. 23 1238 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4IDT ic50 = 0.1 uM T28 C15 H13 Br N4 c1cc2c(cc1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5T8O Ki = 0.31 uM 76Z C17 H17 N3 O3 CC(C)(C#Cc....
2 5T8P Ki = 1.28 uM 774 C12 H10 N2 O2 S c1cc(nc-2c....
3 4IDT ic50 = 0.1 uM T28 C15 H13 Br N4 c1cc2c(cc1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5T8O Ki = 0.31 uM 76Z C17 H17 N3 O3 CC(C)(C#Cc....
2 5T8P Ki = 1.28 uM 774 C12 H10 N2 O2 S c1cc(nc-2c....
3 4IDT ic50 = 0.1 uM T28 C15 H13 Br N4 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T28; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 T28 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IDT; Ligand: T28; Similar sites found: 384
This union binding pocket(no: 1) in the query (biounit: 4idt.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LRJ ANP 0.000001619 0.56425 None
2 2GTE VA 0.007092 0.41232 None
3 3PDT ADP 0.0005234 0.45814 1.09091
4 5TT5 NAD 0.01213 0.40473 1.40449
5 1PK8 ATP 0.0004633 0.47019 1.68539
6 2IO8 ADP 0.0005283 0.46574 1.68539
7 2VPQ ANP 0.001271 0.44643 1.68539
8 4PU5 ANP 0.0006058 0.42035 1.68539
9 1AUX AGS 0.0007888 0.43803 1.92926
10 1I7L ATP 0.0007796 0.45798 1.94175
11 4R78 AMP 0.00001731 0.54731 2.26537
12 5GZ9 ANP 0.00000001563 0.67044 2.29508
13 3ZJX BOG 0.009451 0.42004 2.42215
14 5MW8 ATP 0.000003177 0.56516 2.52809
15 4GYI ADP 0.00001943 0.52983 2.52809
16 2IF8 ADP 0.0003234 0.43506 2.52809
17 3WO0 ALA 0.007357 0.42889 2.52809
18 3T1A 5MA 0.003138 0.42289 2.52809
19 5TDF ADP 0.005678 0.4132 2.52809
20 3CIF G3H 0.02303 0.40386 2.52809
21 1GSA ADP 0.0001159 0.49389 2.53165
22 2GQR ADP 0.006967 0.4033 2.53165
23 3ETH ATP 0.002832 0.42874 2.53521
24 2R3A SAM 0.00551 0.40992 2.66667
25 2PUL ACP 0.00005961 0.49491 2.80899
26 4R38 RBF 0.005975 0.4122 2.85714
27 5VZ0 ADP 0.0008699 0.44337 3.08989
28 3VOT ADP 0.002667 0.40853 3.08989
29 2R7K AMZ 0.01701 0.40205 3.08989
30 3VPD ANP 0.001083 0.44771 3.20285
31 5JLB SAH 0.00677 0.40385 3.22581
32 4FMU 0UM 0.013 0.40025 3.23741
33 3B6R CRN 0.002336 0.42914 3.37079
34 4L2I NAD 0.007474 0.43638 3.46821
35 4L2I FAD 0.01594 0.41161 3.46821
36 5O4J 9KH 0.009932 0.42041 3.64964
37 5O4J SAH 0.009932 0.42041 3.64964
38 5O4J PJL 0.01041 0.4183 3.64964
39 3X01 AMP 0.0005232 0.48316 3.65169
40 3Q60 ATP 0.0001412 0.47833 3.65169
41 2HGS ADP 0.005364 0.41787 3.65169
42 1M0W ANP 0.005944 0.40165 3.65169
43 2QF7 AGS 0.01716 0.40054 3.65169
44 4CYI ATP 0.00003145 0.51507 3.93258
45 4U98 ACP 0.000941 0.44185 3.93258
46 5FI4 5XV 0.004484 0.42311 3.93258
47 5DXT 5H5 0.003671 0.41983 3.93258
48 3RET SAL 0.005926 0.41032 3.9604
49 3RET PYR 0.005926 0.40267 3.9604
50 2FR6 CTN 0.009597 0.40105 4.10959
51 1W2D ADP 0.001566 0.44636 4.15094
52 4OCJ NDG 0.0001702 0.50766 4.21348
53 3DNT ATP 0.0004298 0.46985 4.21348
54 4UWH JXM 0.002696 0.42585 4.21348
55 1U4J MAN 0.0002235 0.48955 4.23729
56 5IQD RIO 0.0004196 0.4888 4.2623
57 5IQD GNP 0.0003944 0.4888 4.2623
58 3OCP CMP 0.009898 0.40816 4.31655
59 4LH7 1X8 0.004019 0.43065 4.33437
60 3I0O ADP 0.0002346 0.45002 4.42478
61 4OAV ACP 0.00000002215 0.64677 4.49438
62 4OUC 5ID 0.0000001571 0.59938 4.49438
63 4M7V RAR 0.01968 0.41469 4.57143
64 4M7V NAP 0.01653 0.40638 4.57143
65 2GQS ADP 0.006705 0.40404 4.64135
66 5W2I ADP 0.0005746 0.46406 4.66926
67 5W2I I3P 0.0005746 0.46406 4.66926
68 5I35 ANP 0.00002342 0.51287 4.77528
69 4XYM A12 0.002592 0.42661 4.78261
70 1ZBQ NAD 0.02252 0.4011 4.89297
71 2PHN GDP 0.01329 0.40138 5.11811
72 5LX9 OLB 0.009436 0.40113 5.21173
73 5C1P DAL DAL 0.007728 0.4138 5.22876
74 5C1P ADP 0.003833 0.40781 5.22876
75 4MKF AP5 0.02633 0.40302 5.52995
76 3WVR AMP 0.0005024 0.44926 5.59284
77 3W0O ADP 0.0002735 0.48764 5.73066
78 2VQD AP2 0.001455 0.43993 5.89888
79 4DFU QUE 0.01823 0.4038 5.90062
80 2BKK ADP 0.0003943 0.44842 5.91716
81 3PN1 IVH 0.0021 0.4003 5.97484
82 2AQX ATP 0.00468 0.41883 6.22837
83 3OIG NAD 0.01656 0.40261 6.39098
84 5NCY 8TK 0.0001423 0.4114 6.46067
85 3VPC ADP 0.0007566 0.42185 6.73759
86 5DMZ ADP 0.000000001345 0.68141 6.74157
87 3F3E LEU 0.02614 0.40318 6.74157
88 4ZS4 ATP 0.0001126 0.46569 6.84039
89 3TDV GDP 0.000004136 0.54923 6.86275
90 4WW7 AMP 0.00002813 0.51965 6.89655
91 3ZS7 ATP 0.00543 0.41763 7
92 4ANW O92 0.00007815 0.51647 7.02247
93 3KJS NAP 0.003896 0.43349 7.02247
94 4YNM SAM 0.003714 0.41757 7.07965
95 4Q5H ANP 0.00003553 0.4959 7.47126
96 5C4L 4XR 0.0005577 0.47464 7.47664
97 5C4L SIS 0.003308 0.43821 7.47664
98 2PYW ADP 0.00002981 0.51612 7.58427
99 3V4S ATP 0.006651 0.41188 7.58427
100 3RE4 TO1 0.00003222 0.48951 7.75194
101 4FE2 ADP 0.005594 0.4156 7.84314
102 4CC6 L5Y 0.01129 0.40972 7.86164
103 2CFM AMP 0.002361 0.43787 8.14607
104 3TII ANP 0.001147 0.42172 8.14607
105 3AKK ADP 0.0005658 0.45628 8.30769
106 5CKW ANP 0.00001421 0.50211 8.42697
107 3UDZ ADP 0.000002862 0.55926 8.70786
108 4AXD ANP 0.00002883 0.54476 8.70786
109 3RG9 WRA 0.004592 0.44093 8.75
110 3RG9 NDP 0.003921 0.44093 8.75
111 3HRD MCN 0.01367 0.41375 8.78378
112 5FCF GLY GLY GLY 0.01282 0.40793 8.98876
113 4F9C 0SX 0.00000001138 0.65957 9.26966
114 4OCV ANP 0.0004052 0.46279 9.49868
115 1IA9 ANP 0.0001266 0.46372 9.64286
116 3HAV ATP 0.005213 0.42324 9.699
117 2EWM NAD 0.01886 0.40364 10.0402
118 5IGI GMP 0.002928 0.44703 10.299
119 5IGI ZIT 0.003095 0.44703 10.299
120 1ZTH ADP 0.000009516 0.50788 10.4651
121 1ZP9 ATP 0.00002525 0.50478 10.4651
122 3KV8 FAH 0.04524 0.40583 10.7914
123 2UYN 2KT 0.008544 0.42036 10.8527
124 4N9I PCG 0.04204 0.40136 10.9524
125 1IOW PHY 0.002392 0.4488 11.1111
126 3KP6 SAL 0.006952 0.41833 11.2583
127 4AZW ATP 0.0002602 0.47367 12.3596
128 3VPB ADP 0.0002653 0.42324 12.5
129 3GNI ATP 0.00000004301 0.59176 12.9213
130 3GQI ACP 0.000000001461 0.70308 13.1902
131 1S9D AFB 0.01011 0.40771 13.3005
132 1Q8Y ADP 0.000000006825 0.68036 14.0449
133 4JR7 GNP 0.000000003723 0.6631 14.0449
134 1Q8Y ADE 0.000006825 0.50158 14.0449
135 5UR1 YY9 0.000003534 0.59468 14.4695
136 4YLL 4E3 0.000001211 0.58426 14.6814
137 4U0I 0LI 0.00001343 0.55086 14.9206
138 5AEW BNL 0.01384 0.40119 15.4255
139 5MY8 RXZ 0.00002138 0.53175 15.7303
140 4G17 0VN 0.0000009366 0.56605 15.7576
141 4O1P ANP 0.00000004128 0.6384 16.2921
142 4YZC STU 0.000000001739 0.74562 16.573
143 2PZI AXX 0.00009257 0.49835 17.1348
144 5USZ SKE 0.0000002792 0.50467 17.6471
145 5C03 AGS 0.00002396 0.50259 19.2982
146 4IZY 1J2 0.00001909 0.4878 19.6629
147 4I94 ANP 0.0000001101 0.61593 19.6667
148 5VC5 96M 0.0000000716 0.6509 19.7232
149 4Y0X ADP 0.00001667 0.51319 20
150 3VHE 42Q 0.0000004115 0.47775 20.5056
151 4WOV 3SM 0.000007689 0.54852 20.8202
152 4CRL C1I 0.000002543 0.44539 21.9212
153 4FF8 14S 0.00001581 0.49531 21.9814
154 4CLI 5P8 0.0000006614 0.63165 22.63
155 3AVR OGA 0.02077 0.40318 22.7273
156 1OPK P16 0.000006194 0.44092 23.0337
157 4BTK DTQ 0.000008169 0.53605 23.1454
158 2H8H H8H 0.00000000659 0.67392 23.3146
159 3OFM 4B0 0.0000006523 0.56189 23.7143
160 3M2W L8I 0.0000000008211 0.68217 23.7458
161 1Y57 MPZ 0.0000001701 0.62315 23.8764
162 3H9R TAK 0.000002024 0.51843 23.9394
163 2PVN P63 0.00000002016 0.52787 24.4318
164 3VRY B43 0.000000492 0.50951 24.4382
165 4IX4 ADP 0.000001459 0.57524 24.5714
166 4E93 GUI 0.00000001782 0.68864 24.7191
167 4IJP 1EH 0.000000005263 0.68545 24.7191
168 5X8I SQZ 0.000000007629 0.64985 24.8555
169 3HMO STU 0.0000001513 0.60983 25.1462
170 2QLU ADE 0.0000001718 0.68733 25.1592
171 4NFN 2KC 0.00003053 0.50778 25.2427
172 2B9H ADP 0.00000000424 0.68616 25.4958
173 2B9J ADP 0.00000001018 0.66172 25.4958
174 2B9I ADP 0.00000001038 0.64402 25.4958
175 3PE2 E1B 0.0000037 0.59788 25.5193
176 4XH0 ADP 0.00000128 0.61889 25.5618
177 5U6C 7YS 0.00000002153 0.58866 25.7143
178 3PTG 932 0.0000002393 0.55656 25.8427
179 3TTI KBI 0.000000009953 0.54609 25.8427
180 4WHZ 3NL 0.00000004601 0.42263 25.8427
181 1VJY 460 0.000000001584 0.53756 26.0726
182 3CY2 MB9 0.00000004264 0.56622 26.1146
183 1OUK 084 0.000122 0.55926 26.1236
184 4LOO SB4 0.000008582 0.5351 26.1236
185 4Y93 746 0.000001573 0.4936 26.1236
186 4NST ADP 0.0000004565 0.59189 26.2108
187 2B9F ADP 0.000000005542 0.67727 26.3456
188 5AWM ANP 0.000000007733 0.69895 26.4045
189 3E7O 35F 0.0000007686 0.45366 26.4045
190 3LXN MI1 0.0000000006674 0.72591 26.4151
191 5EFQ ADP 0.0000004688 0.59137 26.513
192 4N70 2HX 0.0000001187 0.67423 26.5244
193 5LXC 7AA 0.000000008082 0.65436 26.6854
194 4L9I 8PR 0.0000004945 0.58706 26.6854
195 4WB7 ATP 0.00000001034 0.48205 26.6854
196 3GC0 AMP 0.000009415 0.51544 26.7477
197 3BU5 ATP 0.0000001071 0.61995 26.7974
198 3C1X CKK 0.0002552 0.47619 26.8097
199 5M06 ADP 0.00004376 0.50698 26.8116
200 4WB6 ATP 0.0000000006256 0.74371 26.8571
201 5W4W 9WG 0.0000001779 0.49429 26.8882
202 4KBA 1QM 0.000001945 0.48196 26.8882
203 2RIO ADP 0.000000001155 0.70357 26.9663
204 2YAB AMP 0.00000002557 0.65115 26.9663
205 4UAL 3FV 0.00000005297 0.63357 26.9663
206 2QCS ANP 0.000000001066 0.73298 27.1429
207 3FHI ANP 0.000000001105 0.73227 27.1429
208 1RE8 BD2 0.00000001296 0.71847 27.1429
209 3IDB ANP 0.000000001626 0.71528 27.1429
210 5N87 N66 0.00000001927 0.48398 27.1565
211 4QTB 38Z 0.00000000636 0.70243 27.2472
212 4H3P ANP 0.00000005968 0.63127 27.2472
213 4BKJ STI 0.000653 0.46332 27.3016
214 1TQP ATP 0.00005059 0.44971 27.305
215 4OH4 ANP 0.00000004383 0.61796 27.3273
216 3EKK GS2 0.0000008232 0.44518 27.3616
217 4K33 ACP 0.000000006902 0.67667 27.3846
218 5LPZ ADP 0.00000003045 0.62519 27.4096
219 5HCY 60D 0.00000006713 0.68018 27.4924
220 4H3Q ANP 0.00000002232 0.66339 27.5281
221 4WNK 453 0.000000005177 0.53559 27.5281
222 5LI1 ANP 0.0000000005241 0.73426 27.6836
223 2F2U M77 0.00000003909 0.66545 27.809
224 4GJ3 0XP 0.0000000008374 0.74889 27.8146
225 3NW7 LGV 0.0000001872 0.66151 28.013
226 2WU6 DKI 0.00000001197 0.5897 28.0899
227 3V8S 0HD 0.0000004347 0.58953 28.0899
228 3ZRM ZRM 0.000001682 0.56664 28.0899
229 1K3A ACP 0.000003772 0.53085 28.0936
230 3PP0 03Q 0.0000000007291 0.59017 28.1065
231 2GU8 796 0.000000002449 0.76691 28.1899
232 4EUU BX7 0.000000009772 0.68844 28.2132
233 3UIM ANP 0.0000001709 0.61091 28.2209
234 3FHR P4O 0.0000000001657 0.70176 28.2738
235 5K2M ADP 0.0003841 0.47209 28.3019
236 3DLS ADP 0.00000001236 0.6456 28.3582
237 4NM5 ADP 0.000000025 0.57208 28.3708
238 2JLD AG1 0.00000002607 0.49553 28.3708
239 3F7Z 34O 0.000000008002 0.67016 28.5714
240 1O9U ADZ 0.000004437 0.61474 28.5714
241 3TXO 07U 0.00000004424 0.62237 28.6119
242 4FL3 ANP 0.00000003632 0.5831 28.6517
243 3G5D 1N1 0.0000003488 0.65908 28.6713
244 4OTH DRN 0.00000001097 0.60245 28.739
245 1BYG STU 0.00000001678 0.64153 28.777
246 4X7Q 3YR 0.000000001005 0.68653 28.8462
247 3GC8 B45 0.0000004194 0.53967 28.9326
248 5TO8 7FM 0.000004812 0.41171 29.078
249 4TWP AXI 0.0000002835 0.41506 29.1513
250 4E1Z 0MX 0.00000005119 0.56645 29.2096
251 2PVF ACP 0.000000009653 0.66274 29.2135
252 4U44 3D9 0.00000000069 0.71759 29.2169
253 5UIU 8CG 0.000000008452 0.69917 29.4118
254 4XLI 1N1 0.00001557 0.52073 29.4776
255 4I6H 1C8 0.000004649 0.53269 29.5455
256 3RI1 3RH 0.00000003943 0.66039 29.7125
257 3KRR DQX 0.00000005533 0.70789 29.8305
258 3KN5 ANP 0.0000006498 0.56202 29.8462
259 3E8N ATP 0.00000001903 0.70862 30.0562
260 3E8N VRA 0.00000001903 0.44458 30.0562
261 2BPM 529 0.0000001099 0.41191 30.0971
262 4AT3 LTI 0.000002787 0.45812 30.1003
263 1XJD STU 0.00000000003644 0.72819 30.1449
264 2Z7R STU 0.0000000005857 0.6479 30.2181
265 4D2S DYK 0.00000002876 0.6157 30.2817
266 4AUA 4AU 0.0000002957 0.59694 30.2932
267 4AU8 Z3R 0.00000009774 0.64651 30.4054
268 5VCV 1N1 0.000000005389 0.58606 30.5466
269 2WQN ADP 0.00001128 0.5408 30.6452
270 3TKI S25 0.000000008042 0.73814 30.6502
271 4CFU 2WC 0.00000001984 0.65851 30.6931
272 5LPB ADP 0.0000001307 0.58331 30.7432
273 2HY0 306 0.0000000611 0.646 30.7453
274 3O0G 3O0 0.00000001631 0.65266 30.8219
275 1UNH IXM 0.000000008529 0.6392 30.8219
276 1PHK ATP 0.000000002536 0.69617 30.8725
277 4BCQ TJF 0.00000006753 0.59036 30.897
278 4BCM T7Z 0.000005877 0.49596 30.897
279 4BCN T9N 0.000000007302 0.68884 31
280 4WNP 3RJ 0.0000000004345 0.74573 31.0105
281 5EOB 5QQ 0.000005813 0.59678 31.0345
282 2OFV 242 0.000000888 0.614 31.0469
283 1CM8 ANP 0.0000006074 0.5831 31.1798
284 2XMY CDK 0.0000001282 0.69049 31.2081
285 2Y6O 1N1 0.00004728 0.50942 31.2715
286 4CSV STI 0.0001817 0.43483 31.2727
287 4M69 ANP 0.000006041 0.5474 31.3099
288 5LMK 6ZK 0.000000963 0.56557 31.3131
289 1U5R ATP 0.00000009389 0.619 31.3218
290 3KMW ATP 0.00001487 0.52161 31.3653
291 2X2M X2M 0.0000000216 0.66098 31.5287
292 5KO1 6UY 0.0000006883 0.5807 31.8021
293 5LVP ATP 0.000003362 0.53289 31.8328
294 4P5Z Q7M 0.000008535 0.40941 31.856
295 5TA6 79D 0.0000009544 0.48699 32.0225
296 3SRV S19 0.0000000105 0.66112 32.13
297 2HK5 1BM 0.000001886 0.57021 32.2222
298 2YAK OSV 0.000002392 0.58418 32.2807
299 1V0O INR 0.00000000003846 0.72761 32.2917
300 5NKB 8ZT 0.00000506 0.40719 32.3529
301 5HQ0 LZ9 0.000000005075 0.62842 32.4503
302 4ASE AV9 0.000007584 0.55673 32.5843
303 4DC2 ADE 0.0000004623 0.50341 32.5843
304 4F4P 0SB 0.000001727 0.62771 32.6007
305 4BFM ANP 0.00000001988 0.65941 32.6347
306 5JZJ AN2 0.0000000005419 0.71812 32.6599
307 4EWH T77 0.000000006365 0.55581 32.7273
308 3IGO ANP 0.000001526 0.52061 32.8652
309 5LI9 ACP 0.000002271 0.53447 33.1429
310 2CSN CKI 0.000000002982 0.71231 33.3333
311 3C0G 3AM 0.000003904 0.56219 33.3333
312 5IH9 6BF 0.000000138 0.65264 33.4328
313 5FBN 5WF 0.0000004116 0.62809 33.5793
314 5G1X ADP 0.000000001163 0.70343 33.6842
315 5L8L ADP 0.0000002129 0.63042 33.6842
316 4G31 0WH 0.0000543 0.40146 33.7793
317 2ZV2 609 0.00000001534 0.68479 33.8926
318 5LXM ADP 0.000000001406 0.69978 33.9223
319 5UKL SIX 0.0000002008 0.63008 33.9888
320 3SXF BK5 0.00000111 0.60758 33.9888
321 3HZT J60 0.0000002729 0.56617 33.9888
322 3PVW QRX 0.0000006246 0.50038 33.9888
323 5H2U 1N1 0.000003279 0.53889 34.0824
324 5HVJ ANP 0.0000006913 0.63302 34.2857
325 2R5T ANP 0.00000005762 0.57316 34.3164
326 5DA3 58V 0.0000001155 0.64306 34.3396
327 4C2V YJA 0.00000001405 0.68882 34.386
328 3ALN ANP 0.00000001147 0.61468 34.5566
329 4FG8 ATP 0.000000137 0.62159 34.6032
330 3LXK MI1 0.000000001593 0.57457 34.8624
331 4YMJ 4EJ 0.000002494 0.6023 34.8684
332 4C2W ANP 0.0000002184 0.57021 35.1254
333 2A19 ANP 0.00000006004 0.65658 35.2113
334 5JKG 6LF 0.0000006992 0.62247 35.3698
335 2XK9 XK9 0.00000002151 0.69122 35.4037
336 5EW9 5VC 0.000001964 0.65472 35.4244
337 3SXS PP2 0.0000006335 0.5451 35.4478
338 5EYK 5U5 0.00000006578 0.52201 35.5072
339 4JDI ANP 0.000000217 0.61258 35.5491
340 1ZY5 ANP 0.0001141 0.48243 35.6436
341 3E5A VX6 0.0000001558 0.52657 35.8209
342 4Y8D 49J 0.000001428 0.55455 35.8824
343 1U59 STU 0.00000001001 0.64617 35.8885
344 5JFS 6K0 0.000001647 0.60779 36.039
345 2WEL K88 0.000001337 0.49721 36.3914
346 5HX8 66P 0.00000001001 0.56017 36.4238
347 5EKO N17 0.0008881 0.45354 36.5169
348 2V7O DRN 0.00000005968 0.58262 36.6071
349 4AG8 AXI 0.0000003454 0.44716 36.7089
350 4NW6 2NS 0.0000000000332 0.57372 36.8421
351 4USF 6UI 0.00001032 0.54412 37.1711
352 3KRL KRL 0.000002499 0.56735 37.3134
353 5BYZ 4WE 0.00000058 0.47136 37.3563
354 2VZ6 FEF 0.000000004266 0.69967 37.3802
355 5DBX ANP 0.000006727 0.51741 37.5
356 5JGA 6KC 0.0000000003623 0.5513 37.7778
357 2OO8 RAJ 0.003902 0.42242 37.8549
358 4YZN 4K5 0.000000000787 0.63032 37.9791
359 3MVH WFE 0.00000003375 0.67097 38.0117
360 3GGF GVD 0.0000000001566 0.7538 38.206
361 5DH3 5BS 0.000000003084 0.63536 38.4127
362 3ORK AGS 0.0000002283 0.6226 38.5852
363 5AX9 4KT 0.00000000002089 0.75856 38.961
364 4QMN DB8 0.0000001157 0.45746 39.0323
365 2XVD AS6 0.000004594 0.5689 39.0728
366 2J7T 274 0.000002806 0.58092 39.404
367 4L3L 5FI 0.000001176 0.59864 39.4737
368 3AQV TAK 0.00007864 0.49222 39.4928
369 2VN9 GVD 0.00000005152 0.58261 39.5349
370 3PLS ANP 0.0000002015 0.60432 39.5973
371 1JPA ANP 0.000003107 0.40698 39.7436
372 4A4X JUP 0.0000002925 0.6201 39.7849
373 2F57 23D 0.0000004619 0.57776 40.0631
374 5A6N U7E 0.00000155 0.57121 40.636
375 2WEI VGG 0.0000038 0.53951 40.7666
376 5MJA 7O3 0.00003006 0.50083 40.9836
377 5DEY 59T 0.000001134 0.42662 41.0774
378 4XV1 904 0.000001115 0.60564 41.0959
379 2X4Z X4Z 0.00000073 0.61624 41.5541
380 4UX9 ANP 0.0000000008544 0.65406 41.6667
381 3DAK ANP 0.0000005503 0.59311 41.7241
382 3SLS ANP 0.00000002278 0.59027 43.0921
383 4KS7 X4Z 0.0000004602 0.52829 43.1507
384 4CQE CQE 0.000005774 0.49823 43.1655
Pocket No.: 2; Query (leader) PDB : 4IDT; Ligand: T28; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4idt.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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