Receptor
PDB id Resolution Class Description Source Keywords
1FMB 1.8 Å EC: 3.4.23.16 EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793 EQUINE INFECTIOUS ANEMIA VIRUS HYDROLASE (ACID PROTEINASE) RNA-DIRECTED DNA POLYMERASE ASPROTEASE ENDONUCLEASE POLYPROTEIN
Ref.: STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS PROTEIN COMPLEXED WITH AN INHIBITOR. PROTEIN SCI. V. 5 1453 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HYB A:201;
Valid;
none;
Ki = 0.1 nM
566.751 C32 H42 N2 O5 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FMB 1.8 Å EC: 3.4.23.16 EIAV PROTEASE COMPLEXED WITH THE INHIBITOR HBY-793 EQUINE INFECTIOUS ANEMIA VIRUS HYDROLASE (ACID PROTEINASE) RNA-DIRECTED DNA POLYMERASE ASPROTEASE ENDONUCLEASE POLYPROTEIN
Ref.: STRUCTURE OF EQUINE INFECTIOUS ANEMIA VIRUS PROTEIN COMPLEXED WITH AN INHIBITOR. PROTEIN SCI. V. 5 1453 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1FMB Ki = 0.1 nM HYB C32 H42 N2 O5 S CC(C)[C@@H....
2 2FMB Ki = 2 nM LP1 C45 H58 N6 O7 CC[C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HYB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HYB 1 1
2 BAY 0.744681 0.885246
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FMB; Ligand: HYB; Similar sites found: 307
This union binding pocket(no: 1) in the query (biounit: 1fmb.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0001869 0.53242 None
2 2YD6 FLC 0.00128 0.51251 None
3 1UO4 PIH 0.001612 0.47124 None
4 1BTN I3P 0.005267 0.45854 None
5 2XRH NIO 0.001044 0.45325 None
6 1ECM TSA 0.0005702 0.43657 None
7 4WBD ADP 0.002541 0.43594 None
8 4EXO PYR 0.005523 0.42773 None
9 1OGD RIP 0.001702 0.42384 None
10 3TA2 AKG 0.003104 0.42224 None
11 2H29 DND 0.01216 0.42125 None
12 1DSS NAD 0.002939 0.41872 None
13 2YK7 CSF 0.001796 0.41817 None
14 1SOW NAD 0.005051 0.41774 None
15 1DXY COI 0.01328 0.41676 None
16 4WBD CIT 0.01044 0.41478 None
17 3CBG 4FE 0.02117 0.41403 None
18 1Y75 NAG 0.002224 0.41363 None
19 3F8C HT1 0.004296 0.41322 None
20 1PTR PRB 0.008438 0.41254 None
21 1UXG NAD 0.01013 0.41209 None
22 1UXG FUM 0.01013 0.41209 None
23 1T8U A3P 0.00265 0.41177 None
24 1YOA FMN 0.03388 0.41114 None
25 1NF8 BOG 0.009152 0.41095 None
26 2ALG DAO 0.003217 0.41045 None
27 2ALG HP6 0.003217 0.41045 None
28 1ZJ6 G3D 0.001457 0.41026 None
29 3GM5 CIT 0.007093 0.40979 None
30 3SIX GDP 0.001513 0.40966 None
31 1A5V Y3 0.005646 0.40828 None
32 3T2W BTN 0.002919 0.40401 None
33 2X61 CH 0.01866 0.40205 None
34 3TA2 ATP 0.01405 0.40151 None
35 2NLI LAC 0.03998 0.40145 None
36 2NLI FMN 0.03745 0.40145 None
37 4TR1 GSH 0.02002 0.4009 None
38 4PSB GA3 0.0328 0.40073 None
39 3UEC ALA ARG TPO LYS 0.01597 0.40005 None
40 1Y1A GSH 0.005458 0.4605 1.92308
41 1VDC FAD 0.01597 0.4118 1.92308
42 1RYD GLC 0.01128 0.40106 2.84238
43 2BO4 FLC 0.000283 0.47865 2.88462
44 2BLE 5GP 0.003679 0.4468 2.88462
45 2X2T GAL NGA 0.005087 0.43713 2.88462
46 3DCM SAM 0.0009726 0.42826 2.88462
47 4ME6 ADP 0.002326 0.42431 2.88462
48 3GJB AKG 0.001348 0.42207 2.88462
49 1NN5 ANP 0.004608 0.41677 2.88462
50 1NN5 2DT 0.004608 0.41677 2.88462
51 1TU3 GNP 0.003397 0.41626 2.88462
52 4DQ2 BTX 0.004957 0.41416 2.88462
53 2W8Q SIN 0.008674 0.412 2.88462
54 4COQ SAN 0.006877 0.41037 2.88462
55 5W0N UPU 0.03832 0.40822 2.88462
56 3RF4 FUN 0.004383 0.40733 2.88462
57 2Q8H TF4 0.02308 0.40498 2.88462
58 2CSN CKI 0.006812 0.40444 2.88462
59 1P9P SAH 0.005254 0.40405 2.88462
60 3U4C NDP 0.009725 0.40252 2.88462
61 2VKL MLT 0.02451 0.41076 3.33333
62 2PT9 S4M 0.005437 0.40828 3.42679
63 2PT9 2MH 0.01553 0.40028 3.42679
64 1QJC PNS 0.02251 0.40876 3.79747
65 3Q9T FAY 0.002372 0.4381 3.84615
66 4C2V YJA 0.006249 0.43181 3.84615
67 2HGS ADP 0.001059 0.43077 3.84615
68 3W68 VIV 0.004764 0.42844 3.84615
69 3S9K CIT 0.01908 0.42438 3.84615
70 2H6B 3C4 0.01702 0.41508 3.84615
71 1Y9Q MED 0.006851 0.41044 3.84615
72 4CZ1 VNJ 0.005148 0.40761 3.84615
73 3E6J DR2 0.02771 0.40443 3.84615
74 2HGS GSH 0.002599 0.40355 3.84615
75 1JQY A32 0.01249 0.40781 3.8835
76 4G28 0W8 0.001637 0.41879 3.92157
77 3SJ0 DXC 0.004397 0.42526 4.22535
78 1V5F FAD 0.03188 0.43336 4.80769
79 1V5F TPP 0.03188 0.43336 4.80769
80 1KOL NAD 0.004677 0.42379 4.80769
81 4IVG ANP 0.001983 0.42207 4.80769
82 3IO3 ADP 0.001276 0.42174 4.80769
83 1EB9 HBA 0.001018 0.41594 4.80769
84 3OZV FAD 0.03348 0.4096 4.80769
85 1Q11 TYE 0.003975 0.40903 4.80769
86 3ZY6 GFB 0.003627 0.40846 4.80769
87 4AIG FLX 0.00256 0.40615 4.80769
88 4LIT AKG 0.006927 0.40457 4.80769
89 4AGS GSH 0.01532 0.40338 4.80769
90 1T3D CYS 0.002249 0.43832 4.84429
91 1EYE PMM 0.0006347 0.42339 5
92 3MBG FAD 0.008197 0.40129 5.03597
93 1JAC AMG 0.002697 0.45984 5.26316
94 2V5E SCR 0.000123 0.52818 5.76923
95 1JGS SAL 0.0006345 0.50401 5.76923
96 1Y7P RIP 0.0004631 0.47798 5.76923
97 2VQ5 HBA 0.0005999 0.46404 5.76923
98 4CIB 7UZ 0.000287 0.46209 5.76923
99 3ZGE ASP 0.001789 0.4506 5.76923
100 1Z44 NPO 0.007934 0.4452 5.76923
101 1F74 NAY 0.0002447 0.44384 5.76923
102 2HGZ PBF 0.0007256 0.44073 5.76923
103 3PJU C2E 0.001698 0.42963 5.76923
104 1SC3 MLI 0.006098 0.42572 5.76923
105 1H0C AOA 0.004445 0.42505 5.76923
106 1H16 PYR 0.006454 0.42457 5.76923
107 1Z42 HBA 0.02461 0.42298 5.76923
108 1L1Q 9DA 0.001504 0.4211 5.76923
109 1GAD NAD 0.002956 0.42016 5.76923
110 3CF6 SP1 0.0003169 0.41836 5.76923
111 2HFK E4H 0.002558 0.41673 5.76923
112 4N7C AEF 0.007365 0.41519 5.76923
113 2DKH 3HB 0.01144 0.41088 5.76923
114 4IS0 1R4 0.003916 0.40896 5.76923
115 1TDF NAP 0.0418 0.40626 5.76923
116 2O66 FLC 0.006715 0.40514 5.76923
117 4AQL TXC 0.003122 0.40506 5.76923
118 3BRE C2E 0.01015 0.40305 5.76923
119 2BGM NAJ 0.0356 0.40242 5.76923
120 2HW1 FRU 0.008057 0.40184 5.76923
121 3A2Q ACA ACA 0.0005833 0.40139 5.76923
122 1TDF FAD 0.02868 0.40014 5.76923
123 1XHL NDP 0.01381 0.40011 5.76923
124 4ER2 IVA VAL VAL STA ALA STA 0.00005147 0.54786 6.73077
125 1HFA PIO 0.0002506 0.5229 6.73077
126 1SS4 GSH 0.005572 0.46172 6.73077
127 2XI7 XI7 0.005572 0.45344 6.73077
128 3OIG NAD 0.004237 0.44413 6.73077
129 1T0S BML 0.003351 0.43788 6.73077
130 1O68 KIV 0.001152 0.43064 6.73077
131 4GYW UDP 0.003761 0.42289 6.73077
132 3FPZ AHZ 0.02169 0.42224 6.73077
133 1EYQ NAR 0.001414 0.42126 6.73077
134 2ZWS PLM 0.02241 0.42088 6.73077
135 2P4Q FLC 0.004119 0.41999 6.73077
136 3R51 MMA 0.01189 0.41911 6.73077
137 2XK9 XK9 0.005474 0.41873 6.73077
138 1WKR IVA VAL VAL STA ALA STA 0.0002177 0.41844 6.73077
139 3F81 STT 0.01298 0.41724 6.73077
140 2OWZ CIT 0.004945 0.41656 6.73077
141 2FWP ICR 0.007277 0.41483 6.73077
142 1SS4 CIT 0.0153 0.41354 6.73077
143 4B9E FAH 0.008255 0.41296 6.73077
144 3SRV S19 0.007264 0.41032 6.73077
145 1A59 CIT 0.009467 0.41029 6.73077
146 1X54 4AD 0.005333 0.40706 6.73077
147 2F2U M77 0.002462 0.40678 6.73077
148 1KC7 PPR 0.01269 0.40455 6.73077
149 1YOE RIB 0.009809 0.40237 6.73077
150 3WCS MAN NAG 0.00651 0.40042 6.73077
151 1NU4 MLA 0.02667 0.41679 7.2165
152 1I2B NAD 0.005066 0.43783 7.69231
153 1I2B UPG 0.005066 0.43783 7.69231
154 1I2B USQ 0.005066 0.43783 7.69231
155 3QDW A2G 0.006041 0.43349 7.69231
156 4B16 NAG 0.01075 0.42914 7.69231
157 2JFV FLC 0.002955 0.42622 7.69231
158 3MAG 3MA 0.01241 0.42595 7.69231
159 1HEX NAD 0.002649 0.42353 7.69231
160 1G0N NDP 0.01607 0.42155 7.69231
161 1RYI GOA 0.02577 0.42098 7.69231
162 2IMP NAI 0.02629 0.41845 7.69231
163 2DTX BMA 0.01938 0.41835 7.69231
164 3K5X P8D 0.001595 0.41387 7.69231
165 3TO7 COA 0.01014 0.41207 7.69231
166 1OFH ADP 0.004378 0.41196 7.69231
167 3CQ5 PMP 0.003311 0.40692 7.69231
168 4C2G ALA ALA ALA ALA 0.003362 0.40666 7.69231
169 2QIA U20 0.02526 0.40658 7.69231
170 1LOJ U 0.01024 0.40428 7.69231
171 4CCO OGA 0.005416 0.40363 7.69231
172 3QDY CBS 0.01367 0.40311 7.69231
173 4GK9 MAN BMA MAN MAN MAN 0.01912 0.40174 7.69231
174 1CZI PRO PHI SMC NOR 0.0001074 0.50717 8.65385
175 2BZ1 TAU 0.001692 0.48119 8.65385
176 1QO0 BMD 0.0007623 0.4516 8.65385
177 1JN2 SFP 0.01969 0.44493 8.65385
178 4LO6 SIA GAL 0.002706 0.43838 8.65385
179 1GSA ADP 0.004134 0.43676 8.65385
180 1PEA ACM 0.003754 0.43557 8.65385
181 1B74 DGN 0.005193 0.42899 8.65385
182 3GTD MLI 0.001828 0.42866 8.65385
183 4OYA 1VE 0.03065 0.42254 8.65385
184 2GJ3 FAD 0.001457 0.42162 8.65385
185 3JQ3 ADP 0.001177 0.41883 8.65385
186 2Q1A 2KT 0.00439 0.4188 8.65385
187 1XSE NDP 0.02013 0.41844 8.65385
188 2YIV NBN 0.009912 0.40939 8.65385
189 2YIV YIV 0.01474 0.40775 8.65385
190 4JP3 CIT 0.001824 0.40671 8.65385
191 1U7Z PMT 0.01044 0.40618 8.65385
192 3JDW ORN 0.002629 0.40566 8.65385
193 3SQG COM 0.03711 0.40144 8.65385
194 3WUD GLC GAL 0.002092 0.44743 9.61539
195 3D3W NAP 0.002259 0.43309 9.61539
196 3Q3C NAD 0.01331 0.41825 9.61539
197 2FGQ MLT 0.00507 0.41609 9.61539
198 3EW2 BTN 0.002026 0.4152 9.61539
199 1PR9 NAP 0.007047 0.4131 9.61539
200 1H8P PC 0.01672 0.41186 9.61539
201 1ZFJ IMP 0.04993 0.41181 9.61539
202 1I0Z OXM 0.01957 0.4085 9.61539
203 3GEG NAD 0.006536 0.40802 9.61539
204 4KCF AKM 0.005273 0.40566 9.61539
205 3H86 AP5 0.02879 0.40411 9.61539
206 1H9G COA MYR 0.009004 0.40113 9.61539
207 3D91 REM 0.001327 0.52548 10.5769
208 1ZAP A70 0.0006063 0.48157 10.5769
209 4A6F SEP 0.001243 0.47698 10.5769
210 3IHB TRS 0.005667 0.47169 10.5769
211 1Q3Q ANP 0.00788 0.431 10.5769
212 4M51 BEZ 0.004906 0.43014 10.5769
213 4W6Z ETF 0.01136 0.42007 10.5769
214 3IHB GLU 0.00596 0.41933 10.5769
215 2ZE3 AKG 0.003088 0.41919 10.5769
216 1T26 NAI 0.03731 0.41691 10.5769
217 1T26 GBD 0.03731 0.41691 10.5769
218 2HMT NAI 0.01351 0.41489 10.5769
219 1FIQ MTE 0.006481 0.41085 10.5769
220 1FIQ SAL 0.007484 0.41085 10.5769
221 1GPJ CIT 0.007266 0.40934 10.5769
222 3NNF AKG 0.007682 0.40829 10.5769
223 4INB 1F6 0.0122 0.40549 10.5769
224 4QVH FLC 0.04706 0.40512 10.5769
225 4C6F NCD 0.003535 0.40088 10.5769
226 4C6F DOR 0.003535 0.40088 10.5769
227 4LSJ LSJ 0.000101 0.46776 11.5385
228 1NML CIT 0.0009226 0.43451 11.5385
229 1EDO NAP 0.009652 0.43363 11.5385
230 2Q3M MLA 0.009928 0.42295 11.5385
231 2NCD ADP 0.003258 0.41822 11.5385
232 2VDJ HSE 0.009617 0.41646 11.5385
233 1O9U ADZ 0.01486 0.41437 11.5385
234 2OHV NHL 0.003208 0.40745 11.5385
235 2GDZ NAD 0.00887 0.40541 11.5385
236 1JA9 PYQ 0.008399 0.40505 11.5385
237 3PNA CMP 0.01156 0.4049 11.5385
238 4PO2 ASN ARG LEU LEU LEU THR GLY 0.005536 0.40318 11.5385
239 1FQ5 0GM 0.000526 0.48302 12.5
240 1XE7 GUN 0.004972 0.43762 12.5
241 4K7O EKZ 0.004901 0.42982 12.5
242 3CQD ATP 0.009955 0.41138 12.5
243 5UQD AKG 0.03667 0.41008 12.5
244 2FOI JPA 0.002311 0.40782 12.5
245 2BTO GTP 0.01528 0.4072 12.5
246 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01848 0.40316 12.5
247 2PUL ACP 0.001035 0.40066 12.5
248 2YBQ UP2 0.0003555 0.46953 13.4615
249 1XX4 BAM 0.003463 0.44527 13.4615
250 1WRA PC 0.005203 0.42197 13.4615
251 2YBQ SAH 0.001542 0.42068 13.4615
252 3L24 GOA 0.02504 0.40323 13.4615
253 2IYG FMN 0.002389 0.40245 13.4615
254 1EZ0 NAP 0.03026 0.4003 13.4615
255 1QRP HH0 0.0002486 0.49546 14.4231
256 4NAO AKG 0.002362 0.43736 14.4231
257 2X4Z X4Z 0.009102 0.4287 14.4231
258 2ZJ3 G6P 0.001251 0.42412 14.4231
259 1V6A TRE 0.002663 0.42186 14.4231
260 9LDB OXM 0.01848 0.41708 14.4231
261 9LDT OXM 0.01996 0.41535 14.4231
262 3NZW BOC TY5 ALA RE0 ABN 0.009662 0.41532 14.4231
263 1UBY DMA 0.002811 0.40676 14.4231
264 2YVF FAD 0.004919 0.44201 15.3846
265 2YVF NAD 0.005101 0.44201 15.3846
266 4M5P MLA 0.01275 0.42536 15.3846
267 1GJW GLC 0.007579 0.41463 15.3846
268 3ZKN WZV 0.01036 0.41186 15.3846
269 1YBH P22 0.001829 0.41164 15.3846
270 4M5P 23W 0.01268 0.41082 15.3846
271 1P9B HDA 0.005109 0.41008 15.3846
272 2PTZ PAH 0.002612 0.40577 15.3846
273 4N02 FNR 0.02649 0.40534 15.3846
274 1I2L DCS 0.0002287 0.40248 15.3846
275 3JQ9 NAP 0.02713 0.4015 15.3846
276 4JCA CIT 0.0004946 0.49739 16.3462
277 1RZM E4P 0.0003034 0.4773 16.3462
278 3O9L LPN 0.02865 0.40964 16.3462
279 4NES UD1 0.002803 0.40888 16.3462
280 2YLD CMO 0.01108 0.40141 16.3462
281 2C7G ODP 0.01142 0.42258 17.3077
282 2C7G FAD 0.01186 0.42258 17.3077
283 4D52 GXL 0.03154 0.41091 17.3077
284 2XDQ MGX 0.02026 0.40775 17.3077
285 1P72 THM 0.006362 0.40082 17.3077
286 2C31 TZD 0.007723 0.4397 18.2692
287 2C31 ADP 0.02152 0.41925 18.2692
288 3PNL ADP 0.00318 0.41243 18.2692
289 4CCN OGA 0.005357 0.41506 20
290 3B82 NAD 0.01575 0.40507 20.1923
291 2BJU IH4 0.00562 0.4327 21.1538
292 4GQB 0XU 0.02785 0.40439 22.7273
293 3ZPG 5GP 0.004534 0.43957 24.0385
294 4R33 SAH 0.007651 0.41281 25
295 4R33 TRP 0.007651 0.41281 25
296 1A69 FMB 0.0258 0.4111 25
297 3L6R MLI 0.0137 0.40305 25.9615
298 4PLG NAI 0.001529 0.44482 31.7308
299 4PLG OXM 0.001529 0.44482 31.7308
300 4RJK PYR 0.005928 0.4263 35.5769
301 3WSJ MK1 0.0000001808 0.45452 39.4231
302 1BAI 0Q4 0.0000000006815 0.77068 42.3077
303 3SM2 478 0.00000009719 0.43464 42.3077
304 4L1A AB1 0.00003859 0.4653 46.1538
305 5T2Z 017 0.003 0.40858 46.1538
306 4NPT 017 0.0000006647 0.59985 47.1154
307 4NJS G08 0.0000000008814 0.51642 47.1154
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