Receptor
PDB id Resolution Class Description Source Keywords
3TZM 1.7 Å EC: 2.7.11.30 TGF-BETA RECEPTOR TYPE 1 IN COMPLEX WITH SB431542 HOMO SAPIENS ALK5 SB431542 KINASE DOMAIN TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: STRUCTURAL BASIS FOR SPECIFICITY OF TGFBETA FAMILY SMALL MOLECULE INHIBITORS CELL SIGNAL V. 24 476 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
085 A:1;
Valid;
none;
submit data
384.387 C22 H16 N4 O3 c1ccn...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VJY 2 Å EC: 2.7.11.30 CRYSTAL STRUCTURE OF A NAPHTHYRIDINE INHIBITOR OF HUMAN TGF- BETA TYPE I RECEPTOR HOMO SAPIENS TRANSFERASE PROTEIN KINASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION OF 1,5-NAPHTHYRIDINE DERIVATIVES AS A NOVEL SERIES OF POTENT AND SELECTIVE TGF-BETA TYPE I RECEPTOR INHIBITORS. J.MED.CHEM. V. 47 4494 2004
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4X2F - 3WJ C13 H11 N5 O c1cc(ccc1N....
2 4X0M - 3WA C7 H6 N4 O c1nc(c2c(n....
3 1RW8 ic50 = 0.175 uM 580 C18 H16 F N3 Cc1cccc(n1....
4 3GXL ic50 = 0.025 uM QIG C21 H16 N6 Cc1cccc(n1....
5 2WOT ic50 = 44 nM ZZG C26 H26 N4 O4 Cc1cc(c(nc....
6 1VJY Ki = 0.023 uM 460 C17 H15 N5 Cc1cccc(n1....
7 4X2K - 3WO C13 H11 N5 O c1cc(cc(c1....
8 4X2G - 3WK C13 H11 N5 O c1cc(ccc1N....
9 4X2J - 3WN C13 H11 N5 O c1cc(cc(c1....
10 2WOU ic50 = 72 nM ZZF C18 H18 N4 O3 S Cc1ccc(c(n....
11 3HMM ic50 = 0.025 uM 855 C19 H15 N5 Cc1cccc(n1....
12 3TZM - 085 C22 H16 N4 O3 c1ccnc(c1)....
13 1PY5 ic50 = 51 nM PY1 C17 H12 N4 c1ccc2c(c1....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4X2F - 3WJ C13 H11 N5 O c1cc(ccc1N....
2 4X0M - 3WA C7 H6 N4 O c1nc(c2c(n....
3 1RW8 ic50 = 0.175 uM 580 C18 H16 F N3 Cc1cccc(n1....
4 3GXL ic50 = 0.025 uM QIG C21 H16 N6 Cc1cccc(n1....
5 2WOT ic50 = 44 nM ZZG C26 H26 N4 O4 Cc1cc(c(nc....
6 1VJY Ki = 0.023 uM 460 C17 H15 N5 Cc1cccc(n1....
7 4X2K - 3WO C13 H11 N5 O c1cc(cc(c1....
8 4X2G - 3WK C13 H11 N5 O c1cc(ccc1N....
9 4X2J - 3WN C13 H11 N5 O c1cc(cc(c1....
10 2WOU ic50 = 72 nM ZZF C18 H18 N4 O3 S Cc1ccc(c(n....
11 3HMM ic50 = 0.025 uM 855 C19 H15 N5 Cc1cccc(n1....
12 3TZM - 085 C22 H16 N4 O3 c1ccnc(c1)....
13 1PY5 ic50 = 51 nM PY1 C17 H12 N4 c1ccc2c(c1....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4X2F - 3WJ C13 H11 N5 O c1cc(ccc1N....
2 4X0M - 3WA C7 H6 N4 O c1nc(c2c(n....
3 1RW8 ic50 = 0.175 uM 580 C18 H16 F N3 Cc1cccc(n1....
4 3GXL ic50 = 0.025 uM QIG C21 H16 N6 Cc1cccc(n1....
5 2WOT ic50 = 44 nM ZZG C26 H26 N4 O4 Cc1cc(c(nc....
6 1VJY Ki = 0.023 uM 460 C17 H15 N5 Cc1cccc(n1....
7 4X2K - 3WO C13 H11 N5 O c1cc(cc(c1....
8 4X2G - 3WK C13 H11 N5 O c1cc(ccc1N....
9 4X2J - 3WN C13 H11 N5 O c1cc(cc(c1....
10 2WOU ic50 = 72 nM ZZF C18 H18 N4 O3 S Cc1ccc(c(n....
11 3HMM ic50 = 0.025 uM 855 C19 H15 N5 Cc1cccc(n1....
12 3TZM - 085 C22 H16 N4 O3 c1ccnc(c1)....
13 1PY5 ic50 = 51 nM PY1 C17 H12 N4 c1ccc2c(c1....
14 2QLU - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 085; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 085 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VJY; Ligand: 460; Similar sites found: 474
This union binding pocket(no: 1) in the query (biounit: 1vjy.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MUV PCG 0.004412 0.43362 None
2 2Z6C FMN 0.008111 0.41413 None
3 3ORQ ADP 0.006545 0.41506 0.990099
4 1JCM 137 0.01512 0.40492 1.1583
5 1H65 GDP 0.005696 0.41453 1.48148
6 3LE7 ADE 0.04263 0.40758 1.53257
7 3JQ3 ADP 0.001626 0.46839 1.65016
8 2OS2 OGA 0.006746 0.44862 1.65016
9 2Q8E OGA 0.007377 0.44632 1.65016
10 2YBP 2HG 0.008699 0.44236 1.65016
11 4CC6 L5Y 0.006592 0.44217 1.65016
12 1QY1 PRZ 0.00689 0.41091 1.72414
13 2AQX ATP 0.005393 0.41556 1.7301
14 5CPR 539 0.0147 0.42401 1.86567
15 2PNC CLU 0.01001 0.44151 1.9802
16 1CKM GTP 0.01547 0.42286 1.9802
17 2W92 NGT 0.03606 0.40429 1.9802
18 1EHI ADP 0.01583 0.40088 1.9802
19 2QHS OCA 0.009835 0.42875 2.1097
20 5XLY C2E 0.01546 0.40448 2.25564
21 4OCJ NDG 0.0001974 0.4521 2.31023
22 3AKK ADP 0.001448 0.44812 2.31023
23 2YW2 ATP 0.01108 0.40486 2.31023
24 4FE2 ADP 0.002644 0.45292 2.35294
25 4FE2 AIR 0.01278 0.42296 2.35294
26 2VDF OCT 0.00138 0.43971 2.37154
27 2QHV OC9 0.008409 0.43667 2.38095
28 4BQY FNT 0.007497 0.41243 2.38095
29 5L9V OGA 0.03266 0.40212 2.38095
30 3FIU AMP 0.009697 0.42906 2.40964
31 2WKQ FMN 0.01138 0.40743 2.40964
32 4B1L FRU 0.03304 0.40226 2.42424
33 2Z9I GLY ALA THR VAL 0.03082 0.40561 2.46914
34 2YY8 MTA 0.01319 0.41831 2.48756
35 5V1B 8UY 0.003101 0.46454 2.5
36 4C5N ACP 0.003911 0.4124 2.53623
37 3Q60 ATP 0.000009117 0.56058 2.64026
38 4OCV ANP 0.0002399 0.48353 2.64026
39 3OPT AKG 0.01233 0.43408 2.64026
40 3UN3 G16 0.01429 0.4237 2.64026
41 4PAB THG 0.009559 0.41769 2.64026
42 2GVJ DGB 0.009082 0.40871 2.64026
43 1WEI ADE 0.02291 0.4187 2.66667
44 2V0U FMN 0.01564 0.40112 2.73973
45 4O4F ATP 0.001372 0.43117 2.82258
46 4O4F IHP 0.001705 0.42416 2.82258
47 5H9I XAN 0.03176 0.41284 2.91667
48 5I35 ANP 0.000005145 0.57233 2.9703
49 5KJW 53C 0.0006165 0.50719 2.9703
50 1GPM AMP 0.005338 0.43991 2.9703
51 5MOB A8S 0.03141 0.40299 3.01724
52 1P0Z FLC 0.00691 0.44761 3.05344
53 3P7N FMN 0.01324 0.40444 3.10078
54 2CDO GAL AAL GAL AAL GAL AAL 0.001286 0.47203 3.125
55 3T50 FMN 0.00581 0.42072 3.125
56 2QX0 PH2 0.009428 0.44204 3.14465
57 3EXS 5RP 0.03164 0.40283 3.16742
58 4DSU BZI 0.0005073 0.51579 3.1746
59 3PDT ADP 0.00002236 0.5486 3.27273
60 4WOE ADP 0.0002048 0.53221 3.30033
61 5MW8 ATP 0.000001741 0.48222 3.30033
62 4UWH JXM 0.00499 0.43506 3.30033
63 2IO8 ADP 0.001494 0.43292 3.30033
64 4ANW O92 0.0005766 0.42766 3.30033
65 5KY9 GDP 0.009024 0.42258 3.30033
66 1OFL NGK GCD 0.01925 0.41303 3.30033
67 4L77 CNL 0.03219 0.41015 3.30033
68 4A1O JLN 0.008229 0.40176 3.30033
69 2C49 ADN 0.003279 0.43577 3.31126
70 1GZF NIR 0.02351 0.41752 3.31754
71 3GUZ PAF 0.02329 0.41084 3.40909
72 1UWC FER 0.02268 0.40656 3.44828
73 4EES FMN 0.00862 0.40972 3.47826
74 3OQJ 3CX 0.01452 0.42013 3.50195
75 3VPC ADP 0.0006432 0.45586 3.5461
76 3VPB ADP 0.0003739 0.45444 3.5461
77 3DNT ATP 0.0009562 0.44106 3.63036
78 3HQP OXL 0.01128 0.43446 3.63036
79 5LUN OGA 0.02658 0.40672 3.63036
80 3CQ5 PMP 0.03778 0.40638 3.63036
81 1I1Q TRP 0.04192 0.40011 3.64583
82 1N9L FMN 0.01088 0.40833 3.66972
83 3EFS ATP 0.03442 0.40094 3.86266
84 1TQP ATP 0.0001585 0.47383 3.90071
85 3ZJX BOG 0.00337 0.46492 3.9604
86 4CYI ATP 0.00001236 0.43984 3.9604
87 4AZT LY2 0.006469 0.43799 3.9604
88 4NOS ITU 0.01169 0.42922 3.9604
89 5NCY 8TK 0.001054 0.4235 3.9604
90 1CT9 AMP 0.03475 0.40442 3.9604
91 5V3D FCN 0.02189 0.41824 4.13793
92 4IAW LIZ 0.01839 0.4149 4.25532
93 3I0O ADP 0.0006657 0.48803 4.29043
94 3JU6 ANP 0.001779 0.47738 4.29043
95 2VQD AP2 0.001224 0.44746 4.29043
96 3HAV ATP 0.001518 0.48265 4.34783
97 3KCC CMP 0.007472 0.41575 4.61538
98 1VRP ADP 0.004473 0.43736 4.62046
99 4PU5 ANP 0.001754 0.43335 4.62046
100 1C1X HFA 0.01166 0.42097 4.62046
101 1BW9 PPY 0.01667 0.40962 4.62046
102 1VRP IOM 0.03636 0.40251 4.62046
103 1NCQ W11 0.003361 0.43152 4.66102
104 1J3R 6PG 0.02957 0.40434 4.73684
105 2GC0 PAN 0.01232 0.40907 4.78723
106 3VOT ADP 0.005334 0.44225 4.9505
107 3W0O ADP 0.0003906 0.44008 4.9505
108 3W0O HY0 0.0003906 0.44008 4.9505
109 2D6M LBT 0.04688 0.40144 5.03145
110 1ZP9 ATP 0.000007876 0.57049 5.03876
111 1ZTH ADP 0.000002524 0.42266 5.03876
112 2XG5 EC2 0.0056 0.45251 5.04587
113 2XG5 EC5 0.0056 0.45251 5.04587
114 2GQS ADP 0.004108 0.43509 5.06329
115 5T7I LAT NAG GAL 0.02926 0.4134 5.16129
116 3OYW TDG 0.02018 0.42108 5.22388
117 4OAV ACP 0.0000001792 0.64126 5.28053
118 1I1E DM2 0.001117 0.48814 5.28053
119 3B6R ADP 0.001297 0.45878 5.28053
120 1MJT ITU 0.003049 0.44439 5.28053
121 3B6R CRN 0.01692 0.40704 5.28053
122 1W2D ADP 0.001562 0.46927 5.28302
123 1W2D 4IP 0.004999 0.40522 5.28302
124 1IA9 ANP 0.0002551 0.48232 5.35714
125 4OUC 5ID 0.0000000892 0.66452 5.61056
126 4RDL FUC GAL NDG FUC 0.0009782 0.49424 5.61056
127 3UDZ ADP 0.000001834 0.45907 5.61056
128 2G50 PYR 0.02436 0.41479 5.61056
129 3M2W L8I 0.000000004906 0.50361 5.68562
130 3TM0 ANP 0.001043 0.41808 5.70342
131 3TM0 B31 0.001136 0.41255 5.70342
132 5F6U 5VK 0.01524 0.41141 5.73248
133 4RYV ZEA 0.002723 0.45705 5.80645
134 3RE4 TO1 0.00001211 0.40676 5.81395
135 2WBV SIA 0.02223 0.41985 5.82011
136 2BOS GLA GAL 0.02388 0.41204 5.88235
137 2BOS GLA GAL GLC 0.02956 0.40983 5.88235
138 3E7S AT2 0.003977 0.45939 5.94059
139 5IQD RIO 0.0002515 0.44809 5.94059
140 5IQD GNP 0.000232 0.44809 5.94059
141 1VBO MAN MAN MAN 0.01816 0.41356 6.04027
142 1S9D AFB 0.007386 0.43507 6.09756
143 4OFG PCG 0.002516 0.45398 6.25
144 4BQS K2Q 0.03166 0.40655 6.25
145 3TDV GDP 0.00002176 0.53661 6.27063
146 5MY8 RXZ 0.000009385 0.46821 6.27063
147 4BG4 ADP 0.001744 0.44847 6.27063
148 1PK8 ATP 0.0007797 0.44129 6.27063
149 4ZGP ADP 0.005291 0.42988 6.48464
150 5EWK P34 0.02618 0.41683 6.5
151 5C4L 4XR 0.0001947 0.4419 6.60066
152 2PUL ACP 0.00001289 0.42564 6.60066
153 2Q7D ANP 0.002328 0.41868 6.60066
154 4DFU QUE 0.03181 0.41043 6.60066
155 5FI4 5XV 0.0008412 0.40135 6.60066
156 3TII ANP 0.003383 0.45227 6.93069
157 4J25 OGA 0.01112 0.43035 6.9869
158 5H9Q TD2 0.0068 0.4396 7.09677
159 4RDN 6MD 0.02587 0.4171 7.18563
160 3DGY 2GP 0.02977 0.41181 7.2165
161 4K55 H6P 0.0005913 0.50957 7.25806
162 5MRH Q9Z 0.005636 0.44571 7.26073
163 1PVC ILE SER GLU VAL 0.02365 0.43501 7.35294
164 4O9S 2RY 0.004704 0.41199 7.44186
165 2PR5 FMN 0.01177 0.40676 7.57576
166 4XMF HSM 0.005772 0.42991 7.6087
167 4LRJ ANP 0.000009743 0.42859 7.69231
168 4S1D 41M 0.02356 0.41746 7.72727
169 3OCP CMP 0.0004999 0.49432 7.91367
170 2I6A 5I5 0.01805 0.40133 7.92079
171 5UGH 8AJ 0.02495 0.40107 7.92079
172 4CS9 AMP 0.01541 0.43211 7.93651
173 5SVV FMN 0.00971 0.40741 8.0292
174 1GT4 UNA 0.00217 0.44821 8.1761
175 4AGQ P96 0.007912 0.41462 8.21918
176 4AVB CMP 0.002862 0.45122 8.25082
177 5KEW 6SB 0.006963 0.44894 8.33333
178 1TZD ADP 0.000496 0.5131 8.36364
179 5D9G GLU ASN LEU TYR PHE GLN 0.00589 0.44471 8.53659
180 4U98 ACP 0.000973 0.46469 8.58086
181 1Q6O LG6 0.01264 0.41193 8.7963
182 4WUJ FMN 0.01433 0.40285 8.84354
183 4GCZ FMN 0.007232 0.4164 8.91089
184 1I7M CG 0.0327 0.4021 8.95522
185 3NZ1 3NY 0.0004111 0.51401 9.1954
186 5KR7 6X9 0.005886 0.44008 9.24092
187 5F7Y GLC GAL NAG GAL FUC A2G 0.03018 0.40035 9.24092
188 1GG6 APL 0.03043 0.41551 9.27835
189 5W2I I3P 0.0003138 0.41002 9.33852
190 5W2I ADP 0.0003138 0.41002 9.33852
191 5MST FUM 0.0181 0.41929 9.57096
192 2H92 C5P 0.01298 0.41865 9.58904
193 5DKK FMN 0.01018 0.40963 9.65517
194 5L83 ASP TRP GLU ILE VAL 0.01763 0.41202 9.82143
195 1Q8Y ADP 0.000000062 0.51445 9.90099
196 3WVR AMP 0.0002038 0.50222 9.90099
197 1Q8Y ADE 0.000002272 0.41472 9.90099
198 4Q5H ANP 0.00003711 0.52588 10.3448
199 4JR7 GNP 0.0000000001947 0.77026 10.5611
200 4ZS4 ATP 0.00002578 0.52745 10.5611
201 2PYW ADP 0.00001257 0.44513 10.5611
202 3TTN SPD 0.02447 0.41841 10.5611
203 4WW7 AMP 0.00001416 0.44881 10.6952
204 4M26 AKG 0.04147 0.40505 10.7143
205 2PZI AXX 0.000107 0.52178 10.8911
206 4Y0X ADP 0.00001658 0.42237 10.8911
207 4R78 AMP 0.000009528 0.58949 11.2211
208 2G30 ALA ALA PHE 0.000001373 0.66911 11.2403
209 5EFW FMN 0.01127 0.40762 11.6667
210 5JAX 6J7 0.02223 0.40023 11.8519
211 4YSX E23 0.0424 0.40367 12.0567
212 1SQL GUN 0.03792 0.40893 13.0137
213 3FHR P4O 0.0000002059 0.62256 13.2013
214 3CY2 MB9 0.00000003008 0.63713 13.5314
215 4N70 2HX 0.00000003239 0.61144 13.5314
216 4GYI ADP 0.00009913 0.52343 13.8614
217 3LQV ADE 0.01971 0.41637 13.913
218 3X01 AMP 0.0006331 0.50449 13.9949
219 3HMO STU 0.0000000594 0.66393 14.0351
220 5N87 N66 0.00000007423 0.54952 15.016
221 1A99 PUT 0.01868 0.42381 15.1815
222 2TPI ILE VAL 0.002754 0.43928 15.5172
223 5VCV 1N1 0.0000000002057 0.72088 15.8416
224 5LI9 ACP 0.0000001536 0.62833 16.1716
225 5LI1 ANP 0.000000002405 0.56242 16.1716
226 1LNM DTX 0.01121 0.40462 16.3043
227 4DC2 ADE 0.0000001129 0.41033 16.5016
228 4D2S DYK 0.000000106 0.46312 16.9014
229 3KYG 5GP 5GP 0.005611 0.42141 17.1806
230 5LXT ACP 0.001969 0.43121 17.4825
231 4UX9 ANP 0.000000001347 0.71226 17.8218
232 3TTI KBI 0.0000000002189 0.69528 18.1518
233 3E7O 35F 0.0000002453 0.55304 18.1518
234 4WHZ 3NL 0.000000004942 0.52074 18.1518
235 3PTG 932 0.0000008888 0.43585 18.1518
236 4L9I 8PR 0.00002525 0.53967 18.4524
237 4IZY 1J2 0.000001926 0.57204 19.7832
238 5DMZ ADP 0.00000006907 0.65224 21.1221
239 4FL3 ANP 0.000000007742 0.67025 21.4521
240 3OFM 4B0 0.000000008926 0.49744 22
241 4O1P ANP 0.0000001172 0.49036 22.1122
242 3PE2 E1B 0.0000002183 0.57596 22.8487
243 2Z7R STU 0.0000000006593 0.71687 23.1023
244 5C03 AGS 0.000002277 0.58197 23.1023
245 5M06 ADP 0.000001168 0.61054 24.2754
246 4WOV 3SM 0.000001368 0.61536 24.2902
247 3SLS ANP 0.000000003676 0.68434 24.7525
248 4XH0 ADP 0.000003081 0.63001 24.7525
249 3E8N ATP 0.000000003016 0.54199 24.7525
250 3E8N VRA 0.000000003016 0.54199 24.7525
251 5LXC 7AA 0.000000003827 0.5121 24.7525
252 3SLS 77D 0.01203 0.40956 24.7525
253 3V8S 0HD 0.00000004706 0.66871 25.0825
254 2PVN P63 0.0000000004159 0.67681 25.2841
255 5X8I SQZ 0.000000002321 0.72044 25.4125
256 2BKK ADP 0.0002473 0.50381 26.0355
257 4IDT T28 0.000000001584 0.53756 26.0726
258 4FG8 ATP 0.0000009759 0.48154 26.0726
259 5EFQ ADP 0.00000001121 0.51583 26.4026
260 4A4X JUP 0.0000001993 0.5304 26.5233
261 5T8O 76Z 0.0000000008982 0.72008 26.7327
262 4IJP 1EH 0.000000006043 0.53979 26.7327
263 3DLS ADP 0.00000005468 0.4824 26.7327
264 4NST ADP 0.00000002344 0.67396 27.0627
265 4NST AF3 0.0000004252 0.6246 27.0627
266 4YLL 4E3 0.0000001357 0.51951 27.0627
267 4IX4 ADP 0.00002399 0.43651 27.1429
268 4I94 ANP 0.0000006353 0.45886 27.3333
269 4CRL C1I 0.00000006726 0.56561 27.3927
270 2ZV2 609 0.000000005812 0.74401 27.5168
271 4X7Q 3YR 0.000000002855 0.71628 28.3828
272 1Y57 MPZ 0.00000001857 0.64609 28.3828
273 3TXO 07U 0.00000001174 0.4985 28.3828
274 3KN5 ANP 0.0000008222 0.44871 28.3828
275 2CSN CKI 0.0002033 0.47011 28.6195
276 2H8H H8H 0.00000000004715 0.79876 28.7129
277 4Y85 499 0.000001023 0.6055 28.7129
278 5IH9 6BF 0.00000005614 0.58308 29.0429
279 4WB6 ATP 0.000000007094 0.57886 29.0429
280 5HCY 60D 0.00000000008199 0.70564 29.3729
281 2GU8 796 0.000000000323 0.70015 29.3729
282 4BFM ANP 0.00000001333 0.66802 29.3729
283 3IDB ANP 0.000000005991 0.6671 29.3729
284 1RE8 BD2 0.00000002856 0.61043 29.3729
285 5GZ9 ANP 0.0000000002242 0.602 29.3729
286 2QCS ANP 0.000000008396 0.57623 29.3729
287 3FHI ANP 0.00000001054 0.5732 29.3729
288 4WB7 ATP 0.000000246 0.53054 29.3729
289 4NFN 2KC 0.000000112 0.65091 29.703
290 4BTK DTQ 0.0000003949 0.48208 29.703
291 2VN9 GVD 0.000000007858 0.47807 29.9003
292 3HZT J60 0.000001446 0.62278 30.033
293 4WNK 453 0.0000005784 0.54885 30.033
294 2XK9 XK9 0.001478 0.44688 30.033
295 4G17 0VN 0.000006144 0.42689 30.033
296 3G5D 1N1 0.00000000008118 0.72413 30.0699
297 2VZ6 FEF 0.00000005696 0.6836 30.363
298 4KBA 1QM 0.000000001556 0.66139 30.363
299 4AUA 4AU 0.0000004995 0.62021 30.363
300 5W4W 9WG 0.00000001171 0.60798 30.363
301 4F9C 0SX 0.000000006654 0.51699 30.363
302 5TA6 79D 0.0000005805 0.55911 30.6931
303 2V7O DRN 0.00000003151 0.46706 30.6931
304 2WEL K88 0.00000239 0.40484 30.6931
305 4I6H 1C8 0.000000395 0.61719 31.0231
306 4AU8 Z3R 0.00000001742 0.71989 31.0811
307 5KO1 6UY 0.0000001145 0.65045 31.0954
308 4G31 0WH 0.000004277 0.50015 31.1037
309 5HQ0 LZ9 0.0000000002934 0.74167 31.1258
310 3PP0 03Q 0.00000000004214 0.73209 31.3531
311 2WU6 DKI 0.00000001492 0.65015 31.3531
312 4YZC STU 0.000000009489 0.61428 31.3531
313 4NM5 ADP 0.0000001773 0.6042 31.3531
314 2JLD AG1 0.0000001009 0.55977 31.3531
315 3F7Z 34O 0.0000001338 0.49521 31.3531
316 3ZRM ZRM 0.0000006485 0.47389 31.3531
317 5CEO 50D 0.0000005529 0.47111 31.3531
318 5UKL SIX 0.00002468 0.46433 31.3531
319 5USZ SKE 0.0000000716 0.59526 31.4879
320 1UNH IXM 0.0000000001687 0.80857 31.5068
321 3O0G 3O0 0.000000004411 0.52582 31.5068
322 5LVP ATP 0.000001364 0.44492 31.5113
323 1CM8 ANP 0.000000003048 0.52301 31.6832
324 3VHE 42Q 0.000000004184 0.63113 31.7549
325 1XJD STU 0.0000000004445 0.74342 32.0132
326 2R5T ANP 0.0000000137 0.65945 32.0132
327 2YAB AMP 0.0000002503 0.61872 32.0132
328 4E93 GUI 0.000000006563 0.61153 32.0132
329 5EKO N17 0.0001754 0.41291 32.0132
330 5VC5 96M 0.0000000005421 0.6252 32.1799
331 4E1Z 0MX 0.00000006464 0.62293 32.3024
332 5JZJ AN2 0.000000002241 0.73122 32.3232
333 3LXN MI1 0.0000000001129 0.76011 32.3432
334 3UIM ANP 0.000000007079 0.69803 32.3432
335 3GC0 AMP 0.000005473 0.5856 32.3432
336 3PVW QRX 0.000002821 0.53676 32.3432
337 3QCQ 3Q0 0.00000002114 0.40605 32.3432
338 4EWH T77 0.0000000001015 0.70855 32.3636
339 5DRB 5FJ 0.000002026 0.45737 32.646
340 4OH4 ANP 0.0000000001448 0.77621 32.6733
341 1U5R ATP 0.0000000002704 0.76366 32.6733
342 3MVH WFE 0.0000004098 0.53424 32.6733
343 2JDR L20 0.00000004505 0.46113 32.6733
344 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000004505 0.46113 32.6733
345 4GJ3 0XP 0.0000000001862 0.67596 32.7815
346 1PHK ATP 0.0000000002657 0.57207 32.8859
347 4C2V YJA 0.00000002645 0.60035 32.9825
348 4CFU 2WC 0.000000001547 0.74961 33.0033
349 2B9J ADP 0.000000002746 0.72704 33.0033
350 2B9I ADP 0.000000002181 0.72169 33.0033
351 3IGO ANP 0.000000003018 0.68808 33.0033
352 2B9H ADP 0.00000000178 0.54832 33.0033
353 2B9F ADP 0.000000001358 0.54082 33.0033
354 4BCM T7Z 0.0000002431 0.68292 33.2226
355 4BCQ TJF 0.00000007241 0.46428 33.2226
356 4BCN T9N 0.000000005143 0.73522 33.3333
357 3ALN ANP 0.00000000373 0.69261 33.3333
358 3C0G 3AM 0.00000005652 0.68377 33.3333
359 3KRL KRL 0.0000002858 0.60195 33.3333
360 4EUU BX7 0.00000009816 0.59579 33.3333
361 2YAK OSV 0.00000009022 0.57987 33.3333
362 5DEY 59T 0.0000002052 0.46056 33.3333
363 5LPB ADP 0.0000000005529 0.50982 33.4459
364 4H3Q ANP 0.000000001628 0.57753 33.6634
365 2BPM 529 0.000000007559 0.51251 33.6634
366 5DBX ANP 0.000001137 0.43978 33.6634
367 4C2W ANP 0.0000001157 0.46361 33.6918
368 5LPZ ADP 0.000000000353 0.75829 33.9934
369 4NW6 2NS 0.000000001042 0.64125 33.9934
370 5EYK 5U5 0.00000003792 0.60624 34.058
371 4WNP 3RJ 0.0000000007399 0.77683 34.1463
372 3GGF GVD 0.000000007773 0.71573 34.2193
373 2XMY CDK 0.00000001096 0.64946 34.2282
374 5AX9 4KT 0.0000000004484 0.75349 34.3234
375 4Y8D 49J 0.000000001497 0.72925 34.3234
376 5AWM ANP 0.00000001323 0.72593 34.3234
377 4YMJ 4EJ 0.00000006174 0.72156 34.3234
378 4H3P ANP 0.00000001273 0.68623 34.3234
379 4QMN DB8 0.00000002922 0.56471 34.3234
380 4U44 3D9 0.000000005103 0.53381 34.3234
381 5BVE 4VG 0.0000000004327 0.49273 34.3234
382 1ZY5 ANP 0.0000107 0.43052 34.3234
383 5LMK 6ZK 0.00000007245 0.48278 34.3434
384 5A6N U7E 0.0000002139 0.49387 34.629
385 3GNI ATP 0.000000001626 0.70863 34.6535
386 5JGA 6KC 0.00000000006097 0.6871 34.6535
387 3LXK MI1 0.000000000477 0.68183 34.6535
388 2WEI VGG 0.000000005597 0.72262 34.8432
389 3KRR DQX 0.000000000006904 0.77854 34.9153
390 1OUK 084 0.0000006478 0.60284 34.9835
391 4QTB 38Z 0.00000004106 0.5655 34.9835
392 3ORK AGS 0.00000135 0.55509 34.9835
393 3SXF BK5 0.00000008745 0.55426 34.9835
394 4LOO SB4 0.000000007064 0.52637 34.9835
395 2RIO ADP 0.00000002038 0.50943 34.9835
396 3VRY B43 0.0000000002798 0.70688 35.3135
397 5JFS 6K0 0.00000008892 0.58294 35.3135
398 4BKJ STI 0.00000143 0.49469 35.3135
399 3SRV S19 0.00000000006654 0.56531 35.7401
400 4AT3 LTI 0.000000442 0.55334 35.786
401 3DAK ANP 0.000001266 0.45359 35.8621
402 5L8L ADP 0.00000006399 0.6913 36.1404
403 5G1X ADP 0.00000004087 0.6716 36.1404
404 3AQV TAK 0.00005668 0.41921 36.2319
405 4F4P 0SB 0.000000001003 0.68493 36.2637
406 5HVJ ANP 0.0000001708 0.6979 36.3036
407 5LXM ADP 0.00000001746 0.68906 36.3958
408 3GC8 B45 0.000000002152 0.69448 36.6337
409 4OTH DRN 0.0000002414 0.60514 36.6337
410 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.02587 0.40371 37.037
411 4RFM 3P6 0.000001273 0.45744 37.594
412 5EW9 5VC 0.000004507 0.56649 38.3764
413 3E5A VX6 0.000002589 0.54344 38.4328
414 1V0O INR 0.000000000314 0.75027 38.5417
415 5UIU 8CG 0.000000007468 0.5975 39.0093
416 4XLI 1N1 0.00000000005496 0.80735 39.1791
417 2OFV 242 0.0000000005877 0.62071 39.3502
418 2A19 ANP 0.0000006898 0.63905 39.4366
419 5DH3 5BS 0.00000002795 0.65374 39.604
420 4CLI 5P8 0.0000001646 0.57764 39.604
421 2HK5 1BM 0.00000000001439 0.6222 39.6296
422 4BHN BH9 0.000000002975 0.69697 39.934
423 2F57 23D 0.0000003341 0.63681 39.934
424 4ITH RCM 0.00009855 0.49136 40.1361
425 5EOB 5QQ 0.00000002019 0.62693 40.264
426 5U6C 7YS 0.000000004415 0.68088 40.3175
427 5BYZ 4WE 0.0000003101 0.55418 40.5941
428 3PLS ANP 0.000000106 0.65203 40.604
429 5TO8 7FM 0.000002508 0.48041 40.7801
430 4USF 6UI 0.0000002578 0.51698 40.9241
431 3C1X CKK 0.00009678 0.49171 40.9241
432 4M69 ANP 0.00000001099 0.67175 41.5842
433 4L3L 5FI 0.000002984 0.50432 41.5842
434 4KS7 X4Z 0.0000008989 0.57405 41.7808
435 1U59 STU 0.000000005968 0.70146 41.8118
436 4JDI ANP 0.000000008893 0.53644 41.9142
437 2Y6O 1N1 0.00000000005296 0.61406 41.9244
438 5HX8 66P 0.0000000008152 0.68001 42.3841
439 2HY0 306 0.00000006929 0.67939 42.5743
440 3TKI S25 0.0000001352 0.59268 42.5743
441 4FF8 14S 0.000001197 0.43236 42.5743
442 5UOX 8GY 0.000000002012 0.69575 42.8044
443 2WQN ADP 0.0000002152 0.65506 42.9043
444 3BU5 ATP 0.000000000387 0.5622 42.9043
445 2X4Z X4Z 0.00000009557 0.55421 42.9054
446 1JPA ANP 0.0000000982 0.69082 43.2343
447 4U0I 0LI 0.0000001465 0.56648 43.2343
448 3EKK GS2 0.00000004927 0.54925 43.2343
449 2XVD AS6 0.0000000001403 0.69525 43.3775
450 4ASE AV9 0.00000001633 0.62079 43.5644
451 4Y93 746 0.0000003006 0.58198 43.5644
452 5NKB 8ZT 0.000000001087 0.57315 43.5644
453 4AG8 AXI 0.00000004387 0.55615 43.5644
454 2X2M X2M 0.000000000006607 0.64265 43.8944
455 3NW7 LGV 0.000001328 0.54536 43.8944
456 1K3A ACP 0.000001397 0.61491 44.1472
457 4P5Z Q7M 0.000000001239 0.5944 44.2244
458 1OPK P16 0.000000111 0.57104 44.5545
459 4YZN 4K5 0.0000000001731 0.73291 44.5993
460 3KMW ATP 0.0000008753 0.60869 45.7565
461 2OO8 RAJ 0.000002455 0.56125 45.8746
462 5HES 032 0.0000000001079 0.60499 46.2046
463 5JKG 6LF 0.00000007875 0.58135 46.2046
464 5MJA 7O3 0.00000000006201 0.56187 46.5347
465 4K33 ACP 0.00000001787 0.51983 47.5248
466 3BZ3 YAM 0.000001137 0.43827 48.1884
467 5FBN 5WF 0.00000001586 0.60168 48.3395
468 2PVF ACP 0.000000006021 0.71092 48.5149
469 5UR1 YY9 0.00000005404 0.59471 48.5149
470 3RI1 3RH 0.00000002048 0.5662 48.5149
471 4XV1 904 0.000000002196 0.6316 48.9726
472 4TWP AXI 0.000000002285 0.54335 49.0775
473 3GQI ACP 0.000000007043 0.69813 49.505
474 4CSV STI 0.00000004008 0.63181 49.8182
475 1BYG STU 0.0000000001876 0.79388 50
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