TerraTox - HIV-1 structure file, May 2004. Copyright ... - TerraBase Inc.

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1324 C14H18N6O Abacavir; 1592U89; (-)-(1S,4R)-4-[2-amino-6- cyclopropylamino-9H-purin-9-yl]-(3- hydroxymethylcyclopent-2-en-1-yl) C1=C[C@@H](CO)C[C@H]1n2cnc3c(NC4CC4)nc(N)nc23 136470-78-5 1325 C14H18O4 NSC 130958 C1CCCCC1(O)C(C(=O)O)(O)c2ccccc2 1326 C14H18O7 NSC 93149 c1cc(OC)ccc1C(=O)O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2OC 1327 C14H19ClN2O2S NSC 645727; UC581 CC(C)OC(=S)Nc1cc(/C=N/OC(C)C)c(Cl)cc1 (+)-(1S,3R)-3-(6-chloro-9H-purin-9-ylmethyl)-2,2,3- 1328 C14H19ClN4O trimethylcyclopentylmethanol CC1(C)[C@@H](CO)CC[C@@]1(C)n2cnc3c(Cl)ncnc23 1329 C14H19N3O TIBO deriv.; T-4169-021 c1ccc2NC(=O)N3CC(C)N(C(C)C)Cc1c23 1330 C14H19N3O TIBO deriv.; T-4169-016 c1ccc2NC(=O)N3CC(C)N(CCC)Cc1c23 1331 C14H19N3O TIBO deriv.; T-4174-034 c1ccc2NC(=O)N3CCN(CCC)C(C)c1c23 1332 C14H19N3S TIBO deriv.; T-4175-104 c1ccc2NC(=S)N3C[C@H](C)N(CCC)Cc1c23 1333 C14H19N3S R80806 c1ccc2NC(=S)N3CC(C)N(CCC)Cc1c23 1334 C14H19N3S TIBO deriv.; T-4174-038 c1ccc2NC(=S)N3CCN(CCC)C(C)c1c23 1335 C14H19N3S cyclohexenyl urea/thiourea deriv.; T-4680-004 C1CCCC(=C1)CCNC(=S)Nc2ccccn2 (1'R,4'S)-4-(isobutylthio)-1-(6-amino-9H-purin-9- yl)cyclopent-2-ene 1336 C14H19N5S 1337 C14H20N2O6 C1=C[C@@H](SCC(C)C)C[C@H]1n2cnc3c(N)ncnc23 O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC=C(C(=O)NCCC)C2=O 1-(beta-D-ribofuranosyl)pyridin-2-one-3-(N-npropyl)carboxamide 1338 C14H20N4O2 (+)-(1S,3R)-6,9-dihydro-9-[3-(hydroxymethyl)-1,2,2- trimethylcyclopentylmethyl]-1H-purin-6-one CC1(C)[C@@H](CO)CC[C@@]1(C)n2cnc3c(O)ncnc23 1339 C14H20N6O Abacavir deriv.; T-4154-010 C1=C[C@@H](CO)C[C@H]1n2cnc3c(NC(C)C)nc(N)nc23 1340 C14H21BrN4S N-[2-(3-methylpiperidinylethyl)]-N'-[2-(5-bromopyridyl)]- thiourea C1C(C)CCCN1CCNC(=S)Nc2ccc(Br)cn2 1341 C14H21BrN4S N-[2-(2-methylpiperidinylethyl)]-N'-[2-(5-bromopyridyl)]- thiourea C1CCCC(C)N1CCNC(=S)Nc2ccc(Br)cn2 1342 C14H21ClN4S N-[2-(3-methylpiperidinylethyl)]-N'-[2-(5-chloropyridyl)]- thiourea C1C(C)CCCN1CCNC(=S)Nc2ccc(Cl)cn2 1343 C14H21N5O (1S,3R)-3-(6-amino-9H-purin-9-ylmethyl)-2,2,3- trimethylcyclopentylmethanol CC1(C)[C@@H](CO)CC[C@@]1(C)n2cnc3c(N)ncnc23 1344 C14H21N5O2S 1!R,2S,3S,4S)-(isobutylthio)-1-(6-amino-9H-purin-9- yl)cyclopentan-2,3-diol [C@@H]1(O)[C@H](O)[C@@H](SCC(C)C)C[C@H]1n2cnc3c(N)ncnc23 1345 C14H21N5O4 3'-deoxy-3'-azido-3-butylthymidine C1[C@H](N=N#N)[C@@H](CO)O[C@H]1N2C(=O)N(CCCC)C(=O)C(C)=C2 1346 C14H22N2O4S HEPT analogue; T-3988-008 OCCOCN1C(=O)NC(=O)C(C)=C1SC2CCCCC2 1347 C14H22N2O5 HEPT analogue; T-3988-012 OCCOCN1C(=O)NC(=O)C(C)=C1OC2CCCCC2 1-(2'-deoxy-4'-thio-beta-D-erythro-pentofuranosyl)-(3-Nhexyl-6-uracil) C1[C@H](O)[C@@H](CO)S[C@H]1N2C(=O)N(CCCCCC)C(=O)C=N2 1348 C14H23N3O4S 1349 C15H8Cl2F2N2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- dichlorophenyl) c1c(F)c(F)cc2n3(c4nc12)C(SC4)c5c(Cl)cccc5Cl
1350 C15H8Cl2O3 3-hydroxyflavone, 3',4'-dichloro c1cccc2OC(=C(O)C(=O)c12)c3ccc(Cl)c(Cl)c3 1351 C15H8F4N2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- difluorophenyl) c1c(F)c(F)cc2n3(c4nc12)C(SC4)c5c(F)cccc5F 1352 C15H9ClF2N2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2- chloro-6-fluorophenyl), 6-fluoro c1c(F)ccc2n3(c4nc12)C(SC4)c5c(F)cccc5Cl 1353 C15H9ClF2N2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2- chloro-6-fluorophenyl), 7-fluoro c1cc(F)cc2n3(c4nc12)C(SC4)c5c(F)cccc5Cl 1354 C15H9ClF3NO2 1,4-dihydro-2H-3,1-benzoxazin-2-one deriv.; T-4143- 020 c1cc(Cl)cc2C(c3ccccc3)(C(F)(F)F)OC(=O)Nc12 1355 C15H9ClF3NO2S 1,4-dihydro-2H-3,1-benzoxazin-2-one deriv.; T-4143- 021 c1cc(Cl)cc2C(Sc3ccccc3)(C(F)(F)F)OC(=O)Nc12 1356 C15H9ClN2O4S benzoxa(thia)zolin-2-one deriv.; T-4661-024 c1cc(Cl)c(N(=O)=O)cc1C(=O)c2ccc3N(C)C(=O)Sc3c2 1357 C15H9ClO3 3-hydroxyflavone, 4'-chloro c1cccc2OC(=C(O)C(=O)c12)c3ccc(Cl)cc3 1358 C15H9Cl2FN2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- dichlorophenyl), 6-fluoro c1c(F)ccc2n3(c4nc12)C(SC4)c5c(Cl)cccc5Cl 1359 C15H9Cl2FN2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- dchlorophenyl), 7-fluoro c1cc(F)cc2n3(c4nc12)C(SC4)c5c(Cl)cccc5Cl 1360 C15H9Cl2NO2S benzoxa(thia)zolin-2-one deriv.; T-4661-025 c1cc(Cl)c(Cl)cc1C(=O)c2ccc3N(C)C(=O)Sc3c2 1361 C15H9Cl3N2O3S indolyl aryl sulfone deriv.; T-4561-081 c1cc(Cl)cc2c(S(=O)(=O)c3c(Cl)cccc3Cl)c(C(=O)N)nc12 1362 C15H9Cl3N2OS indolyl aryl sulfone deriv.; T-4561-063 c1cc(Cl)cc2c(Sc3c(Cl)cccc3Cl)c(C(=O)N)nc12 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- difluorophenyl), 6-fluoro c1c(F)ccc2n3(c4nc12)C(SC4)c5c(F)cccc5F 1363 C15H9F3N2S 1H,3H-thiazolo[3,4-a]benzimidazole, 6,7-difluoro-1-(2,6- 1364 C15H9F3N2S difluorophenyl), 7-fluoro c1cc(F)cc2n3(c4nc12)C(SC4)c5c(F)cccc5F 1365 C15H9F6NO3 Efavirenz analogue; T-4577-005 c1c(OC(F)(F)F)ccc2NC(=O)O[C@](C#CC3CC3)(C(F)(F)F)c12 1366 C15H9MgNO5S 1367 C15H10ClFN2O thiophene, 2-benzoylamido, 5- carbonylmethylenecarbonylcarbonic acid magnesium salt 1-(2-chloro-6-fluorophenyl)-1H,3H-oxazolo[3,4- a]benzimidazole c1ccccc1C(=O)Nc2ccc(s2)/C([O-])=C/C(=O)C(=O)[O-].[Mg++] c1cccc2n3C(c4c(F)cccc4Cl)OCc3nc12 1368 C15H10ClFN2O3S indolyl aryl sulfone deriv.; T-4561-075 c1cc(Cl)cc2c(S(=O)(=O)c3ccc(F)cc3)c(C(=O)N)nc12 1369 C15H10ClFN2OS indolyl aryl sulfone deriv.; T-4561-058 c1cc(Cl)cc2c(Sc3ccc(F)cc3)c(C(=O)N)nc12 1370 C15H10Cl2N2O3S indolyl aryl sulfone deriv.; T-4561-076 c1cc(Cl)cc2c(S(=O)(=O)c3ccc(Cl)cc3)c(C(=O)N)nc12 1371 C15H10Cl2N2OS indolyl aryl sulfone deriv.; T-4561-059 c1cc(Cl)cc2c(Sc3ccc(Cl)cc3)c(C(=O)N)nc12 1372 C15H10FNO2S benzoxa(thia)zolin-2-one deriv.; T-4661-020 c1ccc(F)cc1C(=O)c2ccc3N(C)C(=O)Sc3c2 1-(2,6-difluorophenyl)-1H,3H-oxazolo[3,4- a]benzimidazole c1cccc2n3C(c4c(F)cccc4F)OCc3nc12 1373 C15H10F2N2O 1374 C15H10F2N2S (S)-(-)-TBZ; NSC 679948 Fc1cccc(F)c1[C@@H]2SCc3nc4ccccc4n23 1375 C15H10F2N2S (R)-(+)-TBZ; NSC 676949 Fc1cccc(F)c1[C@H]2SCc3nc4ccccc4n23
Page 1 and 2: TerraTox - HIV-1 structure file, Ma
Page 3 and 4: 46 C8H9BrN2O5 47 C8H9BrN2O5 alpha-(
Page 5 and 6: 109 C8H11N3O3S (-)-2'-deoxy-3'-oxa-
Page 7 and 8: 156 C9H9F2N3O3 157 C9H9F2N3O3 158 C
Page 9 and 10: 213 C9H10O4 214 C9H10O5 ethyl 3,4-d
Page 11 and 12: 274 C9H13FN5O4P (2R/S)-6-amino-9-[2
Page 13 and 14: 325 C10H9F2N5O2 9-(2',3'-dideoxy-2'
Page 15 and 16: 376 C10H12FN5O2 2',3'-dideoxyadenos
Page 17 and 18: 433 C10H14FN3O3 1-(2-fluoro-2,3-did
Page 19 and 20: 484 C11H8ClNO2S2 thiazolothiazepine
Page 21 and 22: 545 C11H14N2O4 HEPT analogue; T-398
Page 23 and 24: 597 C12H8ClN5O2 5CITEP; 3-hydroxypr
Page 25 and 26: 645 C12H11ClFN3OS phenethylthiazoly
Page 27 and 28: 698 C12H14N2O3 pyridin-2-ol deriv.;
Page 29 and 30: 749 C13H9BrN2OS 2-amino-6-arylsulfo
Page 31 and 32: 794 C13H11ClN2O3S2 795 C13H11ClN2O3
Page 33 and 34: 843 C13H13ClN2O4S N-(3-chloro-6-ami
Page 35 and 36: 898 C13H15N3OS2 N-(thiazol-2-yl)hio
Page 37 and 38: 951 C14H7F6NO2 Efavirenz analogue;
Page 39 and 40: 1003 C14H9N3S 2-amino-6-arylsulfony
Page 41 and 42: 1052 C14H11F4NO2 Efavirenz analogue
Page 43 and 44: 1096 C14H12N2O3S 2-amino-6-arylsulf
Page 45 and 46: 1142 C14H13N3O 5,11-dihydro-6H-pyri
Page 47 and 48: 1190 C14H15ClN2O2S 1191 C14H15ClN2O
Page 49 and 50: 1243 C14H16N2O3S HEPT derivative; T
Page 51: 1297 C14H17N3OS 2-(sec-butoxy)-4-am
Page 55 and 56: 1406 C15H11F3N2O2S 2-amino-6-arylsu
Page 57 and 58: 1459 C15H12O4 1,3-di(4-hydroxy-3-me
Page 59 and 60: 1510 C15H14FN3O 1511 C15H14FN3O 151
Page 61 and 62: 1558 C15H15N3O 5,11-dihydro-6H-pyri
Page 63 and 64: 1614 C15H16N4O dipyridodiazepinone
Page 65 and 66: 1673 C15H18N2O2S 2-(4-methylphenylt
Page 67 and 68: 1733 C15H19N3O2 pyrid-2-ol deriv.;
Page 69 and 70: 1786 C16H6O8S 3,4-dicarboxylic acid
Page 71 and 72: 1827 C16H13ClF3N3O 6,11-dihydro-5H-
Page 73 and 74: 1884 C16H15F3N2O3 Efavirenz analogu
Page 75 and 76: 1939 C16H16N2O4S NSC 667948 c1c([H]
Page 77 and 78: 1991 C16H18Cl2N2OS pyrimidin-4-ol d
Page 79 and 80: 2054 C16H19N3O3S pyrimidin-4-ol der
Page 81 and 82: 2117 C16H20N2O4 2118 C16H20N2O4S OC
Page 83 and 84: 2180 C16H24N6O5 2181 C16H26N2O5Si 2
Page 85 and 86: 2231 C17H15ClN2O4S indolyl aryl sul
Page 87 and 88: 2294 C17H17N2O7P 7-methyl-cyclo-sal
Page 89 and 90: 2350 C17H19ClF2N4S phenethylthiazol
Page 91 and 92: 2405 C17H20N2O3 N-benzyl-6,7-dihydr
Page 93 and 94: 2472 C17H23N3O TIBO deriv.; T-4175-
Page 95 and 96: 2529 C18H14N2O3S2 1H-thieno[2,3-c][
Page 97 and 98: 2587 C18H18N2O2 pyridin-2-ol deriv.
Page 99 and 100: threo-2,3-di(3,4-dihydroxybenzyl)su
Page 101 and 102: 2702 C18H24ClN3S R86162 c1c(Cl)cc2N
Page 103 and 104:
2756 C18H31N3O8SSi 2757 C18H31N3O8S
Page 105 and 106:
2803 C19H18BrN5OS N-[2-(6,7-dihydro
Page 107 and 108:
2855 C19H20N5O5P 3-methyl-cyclo-sal
Page 109 and 110:
2908 C19H24O9 chromene glucuside Cc
Page 111 and 112:
2966 C20H17N2O7P benzo[c]-cyclo-sal
Page 113 and 114:
3026 C20H21N3O TIBO deriv.; T-4169-
Page 115 and 116:
3075 C20H24N4O2 6,11-dihydro-5H-pyr
Page 117 and 118:
3126 C21H14F4N2 1,2-diphenylbenzimi
Page 119 and 120:
3190 C21H20Br2O6 alkenyldiarylmetha
Page 121 and 122:
3248 C21H23N3O2 bis(heteroaryl)pipe
Page 123 and 124:
3291 C21H29ClN4O2 bis(heteroaryl)pi
Page 125 and 126:
3343 C22H20ClN5O2 diazepinone deriv
Page 127 and 128:
3402 C22H26O5 (+)-cathonolide A O[C
Page 129 and 130:
3446 C22H31NO5 3449 C22H33NO4 estra
Page 131 and 132:
3499 C23H22N2O6S2 1H-thieno[2,3-c][
Page 133 and 134:
3538 C23H28O5 10,11-cis-10,11-dihyd
Page 135 and 136:
3585 C24H24O12 1,4,8-trihydroxynaph
Page 137 and 138:
3630 C24H42IN3O8SSi2 TSAO deriv.; T
Page 139 and 140:
3674 C25H24O12 (-)-3,5-dicaffeoyl-m
Page 141 and 142:
3721 C25H34N10NaO9PS B1 C1[C@H](n3c
Page 143 and 144:
3767 C26H26O12 methyl 3,5-dicaffeoy
Page 145 and 146:
3812 C26H34O5S 4-hydroxy-5,6-dihydr
Page 147 and 148:
3859 C27H25N3O2 cyclic urea deriv.;
Page 149 and 150:
3900 C27H34BrN3O3 1'-(2-hydroxy-6-m
Page 151 and 152:
3939 C27H36N2O5S2 4-hydroxy-5,6-dih
Page 153 and 154:
3981 C28H31N5O2 1-[(6-benzyloxy-1H-
Page 155 and 156:
4017 C28H36ClN3O6 2-methyl-3-hydrox
Page 157 and 158:
4057 C28H40N8O3S piperidine deriv.;
Page 159 and 160:
4097 C29H37F3N4O4 4098 C29H37NO8 4-
Page 161 and 162:
4136 C29H50N4O11SSi2 4137 C29H51N5O
Page 163 and 164:
4175 C30H41N3O2 5-oxopyrrolidine-3-
Page 165 and 166:
4214 C31H20O6 3,3'-(4-phenylbezylid
Page 167 and 168:
4255 C31H39N5O7 4256 C31H39N5O8 1-[
Page 169 and 170:
N-3-benzoyloxymethyl / N-3-carboxym
Page 171 and 172:
4332 C32H37IN2O TAK-779 derivative;
Page 173 and 174:
4374 C32H44O8 cucurbitacin E CC1(C)
Page 175 and 176:
4411 C33H22O8 3,3'-(4-stilbenomethy
Page 177 and 178:
4452 C33H37Cl2N3O2 5-oxopyrrolidine
Page 179 and 180:
4491 C33H40N2O7 N-(2(R)-hydroxy-1(S
Page 181 and 182:
4528 C33H53NO4 betulinic acid deriv
Page 183 and 184:
4569 C34H40ClN3O5 2-methyl-3-hydrox
Page 185 and 186:
4609 C34H51N5O8 hydroxyethylhydrazi
Page 187 and 188:
Page 189 and 190:
4685 C35H46O9 phorbol deriv.; T-422
Page 191 and 192:
4723 C36H38N2O6S cyclic sulfondiami
Page 193 and 194:
4761 C36H55NO6 triterpene acid / he
Page 195 and 196:
Page 197 and 198:
4837 C37H58O6 3-(3,3-dimethyl-1,5-p
Page 199 and 200:
4873 C38H47N5O7S tripeptide deriv.;
Page 201 and 202:
4909 C38H63NO4 betulinic acid deriv
Page 203 and 204:
4942 C39H53N7O7 hydroxyethylhydrazi
Page 205 and 206:
4977 C40H53N5O8 meta-/paracyclophan
Page 207 and 208:
Page 209 and 210:
5043 C42H52N6O8 L-mannaric acid dia
Page 211 and 212:
5075 C43H61N5O8 HIV protease inhibi
Page 213 and 214:
Page 215 and 216:
5138 C47H46N6O5 SB-570 5139 C47H46N
Page 217 and 218:
5168 C48H82N2O5 betulinic acid deri
Page 219 and 220:
5196 C55H81N5O14 Indinavir-PEG350(8
show all

TerraTox - HIV-1 structure file, May 2004. Copyright ... - TerraBase Inc.

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