Receptor
PDB id Resolution Class Description Source Keywords
4IJP 2.25 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PRPF4B KINASE DOMAIN IN COMPLEX W [(2-CHLORO-PYRIDIN-4-YLMETHYL)-CARBAMOYL]-THIOPHEN-2-YL}- B ENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMINE HOMO SAPIENS KINASE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: EVALUATION OF CANCER DEPENDENCE AND DRUGGABILITY OF KINASE USING CELLULAR, BIOCHEMICAL, AND STRUCTURAL APPROACHES. J.BIOL.CHEM. V. 288 30125 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1105;
B:1102;
A:1104;
B:1103;
A:1103;
A:1102;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
1EH A:1101;
B:1101;
Valid;
Valid;
none;
none;
ic50 = 0.016 uM
427.927 C20 H14 Cl N3 O2 S2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IJP 2.25 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PRPF4B KINASE DOMAIN IN COMPLEX W [(2-CHLORO-PYRIDIN-4-YLMETHYL)-CARBAMOYL]-THIOPHEN-2-YL}- B ENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMINE HOMO SAPIENS KINASE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: EVALUATION OF CANCER DEPENDENCE AND DRUGGABILITY OF KINASE USING CELLULAR, BIOCHEMICAL, AND STRUCTURAL APPROACHES. J.BIOL.CHEM. V. 288 30125 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4IFC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4IIR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4IJP ic50 = 0.016 uM 1EH C20 H14 Cl N3 O2 S2 c1cc(c2cc(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4IFC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4IIR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4IJP ic50 = 0.016 uM 1EH C20 H14 Cl N3 O2 S2 c1cc(c2cc(....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5A4T ic50 = 1.3 uM AJG C10 H7 N3 O S CC(=O)N=C1....
2 5A4Q ic50 = 2.9 uM Y3L C9 H7 Cl N2 O S CC(=O)Nc1n....
3 5A3X ic50 = 0.8 uM QIV C9 H8 N2 O2 S CC(=O)Nc1n....
4 4YLK ic50 = 0.18 uM 4E2 C16 H8 Cl I N2 O2 c1cc2c3c(c....
5 4MQ1 - 2C3 C25 H22 Cl2 N6 O4 COc1ncc2c(....
6 4YLL ic50 = 0.12 uM 4E3 C16 H8 Br I N2 O2 c1cc2c3c(c....
7 4IFC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 4IIR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 4IJP ic50 = 0.016 uM 1EH C20 H14 Cl N3 O2 S2 c1cc(c2cc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1EH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1EH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IJP; Ligand: 1EH; Similar sites found: 313
This union binding pocket(no: 1) in the query (biounit: 4ijp.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VPD ANP 0.001524 0.42141 1.39665
2 1M0W ANP 0.001392 0.44535 1.67598
3 3X01 AMP 0.001848 0.46176 1.78117
4 1IA9 ANP 0.0000471 0.49588 1.78571
5 5EPA AKG 0.02509 0.40217 1.79211
6 4LH7 1X8 0.008399 0.42247 1.85759
7 4HZO COA 0.009553 0.42375 1.88679
8 1TDF FAD 0.02014 0.40762 1.89873
9 1TDF NAP 0.04213 0.40558 1.89873
10 3TM0 ANP 0.000106 0.41405 1.90114
11 3TM0 B31 0.0001148 0.40837 1.90114
12 2PUL ACP 0.00001415 0.53071 1.95531
13 3UDZ ADP 0.00001282 0.52028 1.95531
14 4AXD ANP 0.00004281 0.40407 1.95531
15 5C1P ADP 0.003883 0.42907 1.96078
16 4FE2 ADP 0.005964 0.42025 1.96078
17 4V36 LYN 0.02947 0.40091 2.08955
18 3RGA LSB 0.005605 0.41346 2.12014
19 5MW8 ATP 0.00001868 0.49166 2.23464
20 4C2C ALA ALA ALA 0.01185 0.42304 2.23464
21 5UQD AKG 0.02245 0.40588 2.23464
22 2Z48 NGA 0.02572 0.4047 2.23464
23 4XCB AKG 0.02568 0.40165 2.29885
24 5HV0 AKG 0.003749 0.42546 2.30415
25 5EXK 5AD 0.01628 0.41185 2.41692
26 1PK8 ATP 0.0001827 0.44086 2.51397
27 4ARE FLC 0.009941 0.426 2.51397
28 3HQP OXL 0.01159 0.42155 2.51397
29 3K5I ADP 0.005043 0.40477 2.51397
30 4AZC NGW 0.02474 0.40432 2.51397
31 2WZ5 MET 0.03174 0.41081 2.61438
32 5GZ9 ANP 0.00000007888 0.5831 2.62295
33 2WBV SIA 0.005216 0.43554 2.6455
34 5V3D FCN 0.02076 0.40914 2.75862
35 4U98 ACP 0.001475 0.43966 2.7933
36 4OCJ NDG 0.000005165 0.42771 2.7933
37 2WA4 069 0.01148 0.40675 2.86533
38 1AUX AGS 0.0003116 0.46516 2.89389
39 4ZS4 ATP 0.00006705 0.48925 2.9316
40 3ETH ATP 0.0008607 0.43127 3.09859
41 2VPQ ANP 0.0005008 0.43522 3.10421
42 1GSA ADP 0.0004653 0.43741 3.16456
43 3PDT ADP 0.000597 0.46233 3.27273
44 4P25 FUC GAL NAG FUC 0.008417 0.42179 3.31126
45 5I35 ANP 0.00001125 0.53522 3.35196
46 2PYW ADP 0.00001899 0.50731 3.35196
47 3WXL ADP 0.01975 0.40121 3.35196
48 4ME6 ADP 0.02638 0.40127 3.36788
49 2QK4 ATP 0.001154 0.46476 3.63128
50 5DXT 5H5 0.005141 0.40782 3.63128
51 5COU ATP 0.003009 0.40187 3.82353
52 5F90 LMR 0.01381 0.40852 3.84615
53 5F90 GLA GAL 0.02023 0.40293 3.84615
54 3SZB I1E 0.003251 0.45073 3.91061
55 4ANW O92 0.0001171 0.41784 3.91061
56 3VOT ADP 0.003954 0.43328 4
57 4PTN PYR 0.01802 0.4198 4.08163
58 3I0O ADP 0.00007311 0.51727 4.12979
59 2IF8 ADP 0.00007184 0.53221 4.18994
60 2CFM AMP 0.0009107 0.4642 4.18994
61 5DZT AMP 0.003133 0.45059 4.18994
62 3TII ANP 0.003018 0.43897 4.18994
63 2VQD AP2 0.00112 0.43243 4.18994
64 1OKE BOG 0.006853 0.42168 4.18994
65 1ZTH ADP 0.000000877 0.61033 4.26357
66 1ZP9 ATP 0.0000008761 0.59313 4.26357
67 1I7L ATP 0.0006183 0.42612 4.46927
68 4RDL FUC GAL NDG FUC 0.007302 0.43309 4.54545
69 3HAV ATP 0.001177 0.47237 4.68227
70 3BU1 HSM 0.01615 0.40346 4.72973
71 4LCN GNG 0.01194 0.40594 4.7486
72 4XYM A12 0.0003911 0.45618 4.78261
73 4RDN 6MD 0.02567 0.40166 4.79042
74 5G3R 89A 0.00778 0.41792 4.82955
75 3W0O ADP 0.000487 0.40332 4.87106
76 3W0O HY0 0.000487 0.40332 4.87106
77 3VPB ADP 0.0002369 0.43634 4.96454
78 3VPC ADP 0.0007007 0.43535 4.96454
79 4GYI ADP 0.000001583 0.58934 5.02793
80 2ZL7 FUC GAL NGA 0.001448 0.47114 5.08475
81 5MG2 7M8 0.01829 0.40494 5.10949
82 4Q3F TLA 0.01415 0.40439 5.12821
83 4R78 AMP 0.0000124 0.5626 5.17799
84 4D4U FUC NDG GAL FUC 0.01708 0.41 5.39683
85 5W2I ADP 0.000395 0.43014 5.44747
86 5W2I I3P 0.000395 0.43014 5.44747
87 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.01589 0.40002 5.44747
88 1TZD ADP 0.0002351 0.51357 5.45455
89 4LIT AKG 0.0264 0.40126 5.58659
90 1W2D ADP 0.000169 0.49964 5.66038
91 4UWH JXM 0.00104 0.45119 6.14525
92 5IQD GNP 0.0008587 0.45965 6.22951
93 5IQD RIO 0.0009147 0.45965 6.22951
94 1CBK ROI 0.007648 0.43126 6.25
95 3SAO NKN 0.01003 0.40566 6.25
96 3SAO DBH 0.02662 0.40404 6.25
97 1TQP ATP 0.00001016 0.49248 6.38298
98 4OCV ANP 0.000004726 0.53899 6.42458
99 4DFU QUE 0.0127 0.4174 6.8323
100 3TDV GDP 0.00004839 0.50086 6.86275
101 1ZHS NAG NAG BMA MAN MAN 0.01787 0.40544 7.07965
102 2HGS ADP 0.003129 0.40439 7.5419
103 5K2M ADP 0.0007594 0.42336 7.54717
104 2BKK ADP 0.00005386 0.51694 7.69231
105 5FII PHE 0.01288 0.41708 7.84314
106 4ZGP ADP 0.006464 0.41065 7.84983
107 1CKM GTP 0.01432 0.41026 7.87879
108 1CKN GTP 0.01589 0.40801 7.87879
109 5VC5 96M 0.00000009136 0.5434 7.95848
110 4XH0 ADP 0.000006739 0.59022 8.10056
111 1S68 AMP 0.001386 0.46661 8.43373
112 4KBA 1QM 0.000003572 0.48508 8.76133
113 3O5N BR0 0.0216 0.40053 8.92857
114 5VZ0 ADP 0.0003573 0.46745 8.93855
115 3WVR AMP 0.001066 0.4507 8.94855
116 4CYI ATP 0.00003607 0.49553 9.21788
117 5NCY 8TK 0.0004584 0.40808 9.49721
118 5F6U 5VK 0.01681 0.40719 9.55414
119 4IX4 ADP 0.00001387 0.51308 9.71429
120 1OBD ATP 0.0007492 0.46289 10.1307
121 2GQR ADP 0.004154 0.41934 10.9705
122 4WW7 AMP 0.00001822 0.49895 11.1111
123 5LPZ ADP 0.000000001967 0.69461 11.747
124 3H9R TAK 0.0000002352 0.64816 12.1212
125 3LQV ADE 0.007078 0.40056 12.1739
126 5C03 AGS 0.00004285 0.50319 12.2807
127 4FL3 ANP 0.0000001097 0.5898 12.2905
128 2IO8 ADP 0.00007586 0.46111 12.2905
129 1KTG AMP 0.02608 0.40195 12.3188
130 1Z45 GAL 0.012 0.41866 12.5698
131 4O1P ANP 0.00000005589 0.63047 12.8492
132 3UIM ANP 0.0000007171 0.58157 12.8834
133 5LPB ADP 0.000000003596 0.72597 13.1757
134 4WOV 3SM 0.0001021 0.5038 13.2492
135 3C1X CKK 0.00006874 0.47505 13.4048
136 1W6P NDG GAL 0.02508 0.40255 13.4328
137 3GNI ATP 0.000001474 0.55426 13.6247
138 2XVD AS6 0.0000002876 0.5139 13.9073
139 5HCY 60D 0.00000001651 0.46675 14.1994
140 3PP0 03Q 0.0000002116 0.53503 14.2012
141 2GQS ADP 0.002112 0.43261 14.346
142 5MJA 7O3 0.0000002211 0.62073 14.4262
143 5HES 032 0.0000004982 0.57701 14.658
144 4Y85 499 0.000001987 0.56918 14.759
145 1OPK P16 0.000003157 0.46636 14.8045
146 5U6C 7YS 0.00000005301 0.60268 14.9206
147 3VHE 42Q 0.0000001675 0.51038 15.0838
148 5UKL SIX 0.000004421 0.48714 15.0838
149 4WB7 ATP 0.0000003754 0.47066 15.0838
150 3PVW QRX 0.00002396 0.46689 15.0838
151 4AZT LY2 0.001249 0.45754 15.3631
152 4AZW ATP 0.0006397 0.44272 15.3631
153 3IDB ANP 0.0000001535 0.57239 15.4286
154 3FHI ANP 0.00000003937 0.56343 15.4286
155 2QCS ANP 0.00000009182 0.55138 15.4286
156 1RE8 BD2 0.00000006768 0.44165 15.4286
157 4BKJ STI 0.0008675 0.41292 15.5556
158 5EOB 5QQ 0.0000005538 0.6258 15.674
159 4WB6 ATP 0.0000000833 0.55305 15.7143
160 3PLS ANP 0.00000007699 0.63288 15.7718
161 4Q5H ANP 0.0000279 0.51141 15.7895
162 2A19 ANP 0.0000007983 0.6123 15.8451
163 3GUZ PAF 0.03004 0.40047 15.9091
164 4Y93 746 0.000006304 0.492 15.9218
165 2GU8 796 0.00000005769 0.41567 16.0237
166 3KRL KRL 0.00002084 0.49689 16.1194
167 2QLU ADE 0.000004001 0.60166 16.242
168 5KO1 6UY 0.00000006459 0.63632 16.2544
169 4ASE AV9 0.000006483 0.47293 16.4306
170 5USZ SKE 0.0000009063 0.51145 16.609
171 5TO8 7FM 0.0000004983 0.45404 16.6667
172 4DC2 ADE 0.000000346 0.65925 16.7598
173 5LI1 ANP 0.00000001639 0.62322 17.2316
174 5LI9 ACP 0.000005104 0.53755 17.4286
175 5TA6 79D 0.000001512 0.50328 17.5978
176 5NKB 8ZT 0.00000008946 0.46137 17.6471
177 2F57 23D 0.000005633 0.55582 17.6656
178 1JPA ANP 0.0000006493 0.61893 18.2692
179 4AG8 AXI 0.000001955 0.44797 18.3544
180 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.004188 0.44344 18.4211
181 1JGU HBC 0.01165 0.41932 18.4332
182 4BHN BH9 0.0000002094 0.59009 18.5629
183 4L9I 8PR 0.00000638 0.54633 18.6508
184 2YW2 ATP 0.006004 0.40156 18.9944
185 4OAV ACP 0.0000001721 0.61712 19.2737
186 3KMW ATP 0.00001032 0.53689 19.5572
187 4TWP AXI 0.0000003783 0.42838 19.5572
188 4CLI 5P8 0.00000004407 0.46004 19.8777
189 3LXN MI1 0.0000001128 0.60145 20.1258
190 2Y6O 1N1 0.00001468 0.50276 20.2749
191 3TY5 ATP 0.004124 0.43239 20.6704
192 3TY5 ADP 0.003456 0.4271 20.6704
193 4GJ3 0XP 0.00000006051 0.52136 21.1921
194 5FBN 5WF 0.0000009309 0.46883 21.4022
195 1OIJ AKG 0.005637 0.43919 21.5947
196 4E1Z 0MX 0.000001783 0.53104 21.6495
197 5UOX 8GY 0.0000001368 0.58574 23.6162
198 5CKW ANP 0.0000376 0.53126 24.3017
199 3E8N ATP 0.0000001166 0.44722 24.3402
200 3E8N VRA 0.0000001166 0.44722 24.3402
201 2CSN CKI 0.00000001447 0.58019 24.5791
202 4IDT T28 0.000000005263 0.68545 24.7191
203 1PVC ILE SER GLU VAL 0.03668 0.4075 25
204 5T8O 76Z 0.00000001195 0.64266 25.5014
205 4BTK DTQ 0.0000349 0.50712 25.816
206 4E93 GUI 0.00000007142 0.51053 25.9777
207 1VJY 460 0.000000006043 0.53979 26.7327
208 4YZC STU 0.00000003867 0.49774 26.8156
209 3TXO 07U 0.00000009741 0.63717 26.9122
210 4WNK 453 0.0000006015 0.50036 27.933
211 2H8H H8H 0.0000001529 0.61118 28.2123
212 1Y57 MPZ 0.0000001635 0.57102 28.2123
213 4P5Z Q7M 0.000001142 0.44885 28.2123
214 2OO8 RAJ 0.001427 0.42076 28.3912
215 5DBX ANP 0.0000007421 0.60489 28.6585
216 1XJD STU 0.00000002623 0.6364 28.9855
217 3LXK MI1 0.00000008658 0.54591 29.052
218 5JFS 6K0 0.0000003442 0.44747 29.2208
219 4YMJ 4EJ 0.000003933 0.60041 29.2763
220 4OTH DRN 0.0000002059 0.57911 29.3255
221 3VRY B43 0.0000003346 0.53653 29.3296
222 3HMO STU 0.000000005142 0.68591 29.5322
223 2F2U M77 0.00000004455 0.67302 29.6089
224 3EKK GS2 0.00000007227 0.48843 29.6417
225 1U5R ATP 0.000000003458 0.69368 29.8851
226 3IGO ANP 0.00000263 0.53351 30.1676
227 3SLS ANP 0.0000002841 0.57287 30.2632
228 4QMN DB8 0.0000009716 0.45974 30.3226
229 5HX8 66P 0.0000001435 0.54537 30.4636
230 3GQI ACP 0.000000009358 0.66472 30.6748
231 4K33 ACP 0.00000003005 0.63385 30.7692
232 4U0I 0LI 0.00001486 0.44231 30.7937
233 2PVF ACP 0.00000000433 0.68927 30.8383
234 2B9J ADP 0.0000000002908 0.74219 30.8782
235 2B9I ADP 0.000000000287 0.73149 30.8782
236 2B9H ADP 0.0000000001658 0.73137 30.8782
237 2B9F ADP 0.0000000001007 0.75158 31.1615
238 1U59 STU 0.0000003041 0.59801 31.3589
239 3BU5 ATP 0.0000000612 0.62873 31.3725
240 3SRV S19 0.00000000687 0.68023 31.4079
241 5JGA 6KC 0.00000003896 0.51459 31.4286
242 4FF8 14S 0.00001337 0.55301 31.5789
243 2X2M X2M 0.0000001158 0.58772 31.8471
244 1ZY5 ANP 0.000199 0.47891 32.0132
245 5UR1 YY9 0.000003046 0.42437 32.1543
246 5N87 N66 0.000000003817 0.52709 32.2684
247 3SXF BK5 0.00001003 0.4361 32.4022
248 3NW7 LGV 0.000002087 0.41192 32.5733
249 4EWH T77 0.000001145 0.50358 32.7273
250 4XLI 1N1 0.0000009822 0.58299 32.8358
251 3RI1 3RH 0.00000006515 0.55911 33.2268
252 5JKG 6LF 0.000006691 0.4288 33.4405
253 1K3A ACP 0.000002327 0.58143 33.4448
254 3ALN ANP 0.000000442 0.57637 33.6391
255 5CEO 50D 0.000004153 0.54791 34
256 4AT3 LTI 0.000001623 0.48173 34.1137
257 3G5D 1N1 0.00000008057 0.40952 34.2657
258 1BYG STU 0.00000009474 0.63773 34.8921
259 2OFV 242 0.000000311 0.47246 35.0181
260 4D2S DYK 0.0000000007483 0.74653 35.5634
261 2ZV2 609 0.00000004166 0.67443 35.5705
262 4RFM 3P6 0.000001337 0.41164 35.7143
263 4I6H 1C8 0.0000242 0.51414 37.3377
264 4CRL C1I 0.00000002078 0.51548 37.4384
265 4CSV STI 0.00013 0.45625 37.4545
266 2WEI VGG 0.00002969 0.5225 37.6307
267 2HK5 1BM 0.00000009671 0.60427 38.8889
268 3HZT J60 0.00002565 0.53931 39.6648
269 5H2U 1N1 0.000001153 0.57247 40.0749
270 4NM5 ADP 0.000000008699 0.62139 40.2235
271 2JLD AG1 0.00000001883 0.52776 40.2235
272 5DA3 58V 0.0000001834 0.64325 40.3774
273 3ZRM ZRM 0.0000007652 0.58033 40.5028
274 1O9U ADZ 0.00001362 0.56686 40.8571
275 4FG8 ATP 0.0000004514 0.57598 40.9524
276 2V7O DRN 0.00000007259 0.67353 41.0714
277 3F7Z 34O 0.0000000273 0.6442 41.4286
278 2VZ6 FEF 0.000001502 0.59042 41.5335
279 4H3Q ANP 0.0000000002371 0.68081 41.8994
280 5BYZ 4WE 0.00000002551 0.53042 41.954
281 2WEL K88 0.0000006937 0.64007 42.5076
282 3E7O 35F 0.0000008963 0.47634 43.2961
283 3GC0 AMP 0.00001056 0.55038 43.769
284 5AWM ANP 0.00000000922 0.70616 43.8547
285 3SXS PP2 0.000002962 0.54143 44.0299
286 5EFQ ADP 0.000000003381 0.68423 44.3804
287 4QTB 38Z 0.0000000003374 0.61034 44.4134
288 3GC8 B45 0.0000001592 0.58263 44.4134
289 4LOO SB4 0.000008548 0.53408 44.4134
290 4NST ADP 0.000000009773 0.66389 44.4444
291 4NST AF3 0.01038 0.40587 44.4444
292 4H3P ANP 0.000000004814 0.67746 44.6927
293 1PHK ATP 0.000000003582 0.67374 44.9664
294 1CM8 ANP 0.00000004735 0.6424 44.9721
295 5BVE 4VG 0.00000001195 0.40933 45.2514
296 3PTG 932 0.000001051 0.61584 45.5307
297 3TTI KBI 0.00000001317 0.56977 45.5307
298 5EKO N17 0.0001475 0.45374 45.5307
299 4WHZ 3NL 0.00000005928 0.43767 45.5307
300 4UX9 ANP 0.000000008782 0.64832 46.0894
301 4IZY 1J2 0.000001246 0.55734 46.0894
302 2VN9 GVD 0.000000282 0.64424 46.1794
303 5HQ0 LZ9 0.0000000001254 0.72635 46.6887
304 5MY8 RXZ 0.0000002515 0.54417 47.2067
305 2WU6 DKI 0.0000000007343 0.6639 47.486
306 4AUA 4AU 0.000001025 0.58215 47.8827
307 2BPM 529 0.000000001372 0.47236 48.2201
308 4CFU 2WC 0.00000000008194 0.77913 48.8449
309 4BCQ TJF 0.000000003321 0.72764 49.1694
310 4BCM T7Z 0.00000004691 0.5308 49.1694
311 4BCN T9N 0.0000000005115 0.75434 49.3333
312 5X8I SQZ 0.000000001744 0.69692 49.422
313 5LMK 6ZK 0.000001733 0.57945 49.8316
Pocket No.: 2; Query (leader) PDB : 4IJP; Ligand: 1EH; Similar sites found: 41
This union binding pocket(no: 2) in the query (biounit: 4ijp.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BJ8 BTN 0.008631 0.40497 None
2 4CCK OGA 0.01729 0.4077 1.39665
3 1OHE ACE ALA SEP PRO 0.01627 0.41187 1.43678
4 2D24 XYS XYS 0.01283 0.40488 1.67598
5 5L6G XYP 0.02845 0.40106 1.67598
6 5LUN OGA 0.02381 0.40335 1.70455
7 4U5I BXP 0.01198 0.41689 1.95531
8 2F9W PAU 0.01104 0.4159 2.58303
9 5JDA AMP 0.01864 0.40458 2.78552
10 1LTZ HBI 0.02393 0.40324 3.0303
11 3T2W BTN 0.01087 0.41192 3.27869
12 5VLQ ANP 0.02105 0.42779 3.35196
13 1R37 ETX 0.02153 0.40493 3.45821
14 1SU2 ATP 0.006629 0.40651 4.40252
15 2BOS GLA GAL 0.005239 0.40753 4.41176
16 1I06 TZL 0.0153 0.41324 4.44444
17 2OS2 OGA 0.02658 0.40203 4.46927
18 5FWE OGA 0.02784 0.40057 4.46927
19 4URG C2E 0.02353 0.40404 4.79042
20 4GGZ BTN 0.00474 0.42498 5.21739
21 1Y9Q MED 0.02174 0.40737 5.72917
22 4IAW LIZ 0.004916 0.42869 5.85106
23 3PN1 IVH 0.02604 0.40134 6.91824
24 2Z9I GLY ALA THR VAL 0.02098 0.40491 7.09877
25 5I8T LAC 0.02683 0.40067 7.26257
26 3EW2 BTN 0.01837 0.40484 7.40741
27 3P7G MAN 0.01462 0.41682 7.53425
28 2AQX ATP 0.003167 0.40818 8.3045
29 2J5B TYE 0.02373 0.40913 8.33333
30 4CPH LH4 0.01078 0.40421 8.66142
31 2QL9 CIT 0.01647 0.41612 9.27835
32 5T9C G3P 0.01847 0.41007 9.32836
33 1LOJ U 0.01201 0.42377 10.3448
34 3BPX SAL 0.0108 0.42132 10.8108
35 4QB6 GCU XYP 0.01143 0.43016 10.9756
36 4XBT 3ZQ 0.01491 0.40135 11.6129
37 2AIQ BEN 0.0171 0.41075 13.4199
38 2ZSC BTN 0.01179 0.4024 14.1844
39 2FCU AKG 0.01607 0.41383 17.5719
40 1LT3 GAL BGC 0.02171 0.41035 21.3592
41 4Z28 BTN 0.01178 0.41023 21.6418
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