SMILES for Gag-Pol polyprotein [489-587,Q496K]

68 SMILES Strings for Gag-Pol polyprotein [489-587,Q496K]

Compound Name

SMILES String

Cc1nc(C)c(-c2cc(F)c3OCCCc3c2C)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:32.37,(4,-5,;2.67,-4.23,;1.33,-5,;,-4.23,;-1.33,-5,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;1.33,-1.93,;1.33,-.38,;2.67,.38,;2.67,1.93,;4,2.69,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;,.38,;-.77,-.95,;2.67,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;5.33,1.93,;6.67,1.15,;5.33,-2.69,;6.67,-1.93,;5.33,-4.23,)|

BDBM293265

COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(Cl)cc2)cc1 |r|

BDBM293266

COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(C)cc2)cc1 |r|

BDBM293267

COc1ccc(COc2ccc(cc2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc(OCc3ccc(OC)cc3)cc2)cc1 |r|

BDBM293268

Cc1ccc(cc1)-c1c([C@H](OC(C)(C)C)C(O)=O)c(C)nc(C)c1-c1ccc(OCc2ccc(F)cc2)cc1 |r|

BDBM293269

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:36.41,(6.34,-3.21,;5,-2.44,;3.67,-3.21,;2.34,-2.44,;1,-3.21,;2.34,-.9,;1,-.13,;.23,1.2,;-1.31,1.2,;-2.08,-.13,;-3.62,-.13,;-4.39,-1.46,;-5.93,-1.46,;-6.7,-2.8,;-8.24,-2.8,;-9.01,-4.13,;-8.24,-5.47,;-9.01,-6.8,;-6.7,-5.47,;-5.93,-4.13,;-1.31,-1.46,;.23,-1.46,;3.67,-.13,;3.67,1.41,;5,2.18,;5,3.72,;6.34,4.49,;3.67,4.49,;3.67,6.03,;2.34,6.8,;1,6.03,;1,4.49,;2.34,3.72,;2.34,2.18,;1,1.41,;5,-.9,;6.34,-.13,;6.34,1.41,;7.67,2.18,;9.01,1.41,;7.67,3.72,;9.01,2.95,;7.67,-.9,;9.01,-.13,;7.67,-2.44,)|

BDBM293270

CCOc1ccc(cc1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:16.17,(-7.47,-3.26,;-5.93,-3.26,;-5.16,-1.93,;-3.62,-1.93,;-2.85,-.59,;-1.31,-.59,;-.54,-1.93,;-1.31,-3.26,;-2.85,-3.26,;.8,-2.7,;.8,-4.24,;-.54,-5.01,;2.13,-5.01,;3.46,-4.24,;4.8,-5.01,;3.46,-2.7,;4.8,-1.93,;4.8,-.39,;6.13,.38,;7.47,-.39,;6.13,1.92,;7.47,1.15,;6.13,-2.7,;7.47,-1.93,;6.13,-4.24,;2.13,-1.93,;2.13,-.39,;3.46,.38,;3.46,1.92,;4.8,2.69,;2.13,2.69,;2.13,4.24,;.8,5.01,;-.54,4.24,;-.54,2.69,;.8,1.92,;.8,.38,;-.54,-.39,)|

BDBM293271

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293272

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293273

CN(C)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r|

BDBM293274

Cc1nc(CNCC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293275

COCCNCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r|

BDBM293276

CN(CC1CCOCC1)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r|

BDBM293277

Cc1nc(CO)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293278

Cc1nc(COC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293279

Cc1nc(COCC2COC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293280

CCOCCOCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r|

BDBM293281

CCOCCOCCOCc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc(OCCc2ccc(F)cc2)cc1 |r|

BDBM293282

Cc1nc(C)c(-c2ccc3CN(CCc3c2)C(=O)OCc2ccccc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293283

Cc1nc(C)c(-c2ccc3CN(Cc4ccc(F)cc4)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293284

Cc1nc(C)c(-c2ccc3CNCCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293285

CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293286

Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4F)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293287

Cc1nc(C)c(-c2ccc3CN(Cc4cccc(F)c4)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293288

Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293289

Cc1cccc(CN2CCc3cc(ccc3C2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc3OCCCc3c2)c1F |r|

BDBM293290

Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4Cl)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293291

Cc1ccc(CN2CCc3cc(ccc3C2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2-c2ccc3OCCCc3c2)c(C)c1 |r|

BDBM293292

Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293293

Cc1nc(C)c(-c2ccc3CN(CCc4ccccc4F)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293294

Cc1nc(C)c(-c2ccc3CN(CCCc4ccc(F)cc4)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293295

CN(CC1CCOCC1)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc2CN(CCc2c1)c1ncnc2n(C)ncc12 |r|

BDBM293296

CN(CC1CCOCC1)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc2CN(CCc2c1)c1cc(C)ncn1 |r|

BDBM293297

CN(CC1CCOCC1)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc2CN(Cc3c(C)cccc3F)CCc2c1 |r|

BDBM293298

CN(CC1CCOCC1)Cc1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc3OCCCc3c2)c1-c1ccc2CN(Cc3c(C)cccc3Cl)CCc2c1 |r|

BDBM293299

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCC(F)(F)c3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293300

Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4F)CCc3c2)c(-c2ccc3OCCC(F)(F)c3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293301

Cc1nc(C)c(-c2ccc3CN(Cc4ccccc4F)CCc3c2)c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:38.44,(6.67,-5.44,;5.33,-4.67,;4,-5.44,;2.67,-4.67,;1.33,-5.44,;2.67,-3.13,;1.33,-2.36,;1.33,-.82,;,-.05,;-1.33,-.82,;-2.67,-.05,;-4,-.82,;-5.33,-.05,;-6.67,-.82,;-6.67,-2.36,;-8,-3.13,;-9.34,-2.36,;-9.34,-.82,;-8,-.05,;-8,1.49,;-4,-2.36,;-2.67,-3.13,;-1.33,-2.36,;,-3.13,;4,-2.36,;4,.05,;5.33,.82,;5.33,2.36,;6.67,3.13,;4,3.13,;4,4.67,;2.67,5.44,;1.33,4.67,;1.33,3.13,;2.67,2.36,;2.67,.82,;1.33,.05,;5.33,-3.13,;6.67,-2.36,;6.67,-.82,;8,-.05,;9.34,-.82,;8,1.49,;9.34,.72,;8,-3.13,;9.34,-2.36,;8,-4.67,)|

BDBM293302

Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:26.29,(-5.33,-3.13,;-6.67,-2.36,;-8,-3.13,;-9.34,-2.36,;-9.34,-.82,;-8,-.05,;-8,1.49,;-6.67,-.82,;-5.33,-.05,;-4,-.82,;-4,-2.36,;-2.67,-3.13,;-1.33,-2.36,;,-3.13,;1.33,-2.36,;1.33,-.82,;,-.05,;-1.33,-.82,;-2.67,-.05,;2.67,-3.13,;2.67,-4.67,;1.33,-5.44,;4,-5.44,;5.33,-4.67,;6.67,-5.44,;5.33,-3.13,;6.67,-2.36,;6.67,-.82,;8,-.05,;9.34,-.82,;8,1.49,;9.34,.72,;8,-3.13,;9.34,-2.36,;8,-4.67,;4,-2.36,;4,.05,;5.33,.82,;5.33,2.36,;6.67,3.13,;4,3.13,;4,4.67,;2.67,5.44,;1.33,4.67,;1.33,3.13,;2.67,2.36,;2.67,.82,;1.33,.05,)|

BDBM293303

Cc1ccccc1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1C |r,wD:25.28,(-5.33,-3.13,;-6.67,-2.36,;-8,-3.13,;-9.34,-2.36,;-9.34,-.82,;-8,-.05,;-6.67,-.82,;-5.33,-.05,;-4,-.82,;-4,-2.36,;-2.67,-3.13,;-1.33,-2.36,;,-3.13,;1.33,-2.36,;1.33,-.82,;,-.05,;-1.33,-.82,;-2.67,-.05,;2.67,-3.13,;2.67,-4.67,;1.33,-5.44,;4,-5.44,;5.33,-4.67,;6.67,-5.44,;5.33,-3.13,;6.67,-2.36,;6.67,-.82,;8,-.05,;9.34,-.82,;8,1.49,;9.34,.72,;8,-3.13,;9.34,-2.36,;8,-4.67,;4,-2.36,;4,.05,;5.33,.82,;5.33,2.36,;6.67,3.13,;4,3.13,;4,4.67,;2.67,5.44,;1.33,4.67,;1.33,3.13,;2.67,2.36,;2.67,.82,;1.33,.05,)|

BDBM293304

Cc1ccc(cc1)-c1c([C@H](OC(C)(C)C)C(O)=O)c(C)nc(C)c1-c1ccc2CN(Cc3c(C)cccc3F)CCc2c1 |r|

BDBM293305

Cc1ccc(cc1)-c1c([C@H](OC(C)(C)C)C(O)=O)c(C)nc(C)c1-c1ccc2CN(Cc3ccccc3F)CCc2c1 |r|

BDBM293306

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCc4ccnc2c34)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:37.43,(7.34,-5.44,;6,-4.67,;4.67,-5.44,;3.33,-4.67,;2,-5.44,;3.33,-3.13,;2,-2.36,;2,-.82,;.67,-.05,;-.67,-.82,;-2,-.05,;-3.33,-.82,;-4.67,-.05,;-6,-.82,;-7.34,-.05,;-8.67,-.82,;-8.67,-2.36,;-10,-3.13,;-7.34,-3.13,;-6,-2.36,;-.67,-2.36,;.67,-3.13,;4.67,-2.36,;4.67,.05,;6,.82,;6,2.36,;4.67,3.13,;4.67,4.67,;3.33,5.44,;2,4.67,;2,3.13,;.67,2.36,;.67,.82,;2,.05,;3.33,.82,;3.33,2.36,;6,-3.13,;7.34,-2.36,;7.34,-.82,;8.67,-.05,;10,-.82,;8.67,1.49,;10,.72,;8.67,-3.13,;10,-2.36,;8.67,-4.67,)|

BDBM293307

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3F)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293308

Cc1nc(C)c(-c2ccc(OCCc3ccccc3F)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293309

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(C2=CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O |r,t:25|

BDBM293310

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2cc(F)c3OCC=Cc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r,c:32|

BDBM293311

Cc1nc(C)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2cc(F)c3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293312

Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r|

BDBM293313

Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r|

BDBM293314

Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r|

BDBM293315

Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1cc(F)c2OCCCc2c1 |r|

BDBM293316

Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3n(C)ncc23)c(-c2cc(F)c3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293317

Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3n(C)ncc23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293318

Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293319

Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293320

COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293321

Cc1cc(nc(C)n1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293322

Cc1nc(N)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293323

Cc1cc(F)ccc1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293324

Cc1nc(N)c(-c2ccc3CN(Cc4cccc(F)c4C)CCc3c2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293325

Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293326

Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293327

COc1nccc(n1)N1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293328

Cc1cc(nc(C)n1)N1CCc2cc(ccc2C1)-c1c(N)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293329

Cc1nc(CCCC2CCOCC2)c(-c2ccc(OCCc3ccc(F)cc3)cc2)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r|

BDBM293330

Cc1cc(ncn1)N1CCc2cc(ccc2C1)-c1c(CCCC2CCOCC2)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|

BDBM293331

Cc1cccc(F)c1CN1CCc2cc(ccc2C1)-c1c(CCCC2CCOCC2)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1-c1ccc2OCCCc2c1 |r|