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

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4155 C30H34N2O7 hexanediamide deriv.; T-4449-183 4156 C30H34N2O8 4-aryl-1,4-dihydropyridine dimer; T-4199-009 CNC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N[C@@ H]3[C@H](O)Cc4ccccc34 [C@]36(CO)[C@]2([H])[N@](C(=O)OC)[C@]5([H])[C@]4(CO)[C@@]([H])(c1ccccc1)[C@@] 2(CO)[C@]3([H])[N@](C(=O)OC)[C@]4([H])[C@]5(CO)[C@]6([H])c7ccccc7 (Dist-deriv)-CO-(1,4-C6H4)-CO-OH; Dist-deriv= O=C(Nc1cn(C)c(c1)C(=O)Nc2cn(C)c(c2)C(=O)Nc3cnc(c3)C(=O)NCCCN(C)C)c1ccccc1C(= 4157 C30H34N8O6 Distamycin derivative with dimethylaminopropyl end O)O 4158 C30H35IN2O3 TAK-779 derivative; T-4053-012 c1cc(C)ccc1c2ccc3OCCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+](C)(C)CCCO.[I-] 4159 C30H35N3O4 aza-cyclic urea deriv.; T-4389-077 C1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc3cc(OC)c(O)cc3)C(=O)N(CC4CC4)N1Cc5ccccc5 Cc1c(O)cc(C)cc1C(=O)N[C@@H](Cc2cc3ccsc3cc2)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@ 4160 C30H36ClN3O5S 2-methyl-3-hydroxybenzamide deriv.; T-4443-051 H]3C(=O)NC(C)(C)C 4161 C30H37NO4S HIV protease inhibitor; T-4049-030 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3c4ccccc4nc3 4162 C30H37NO4S HIV protease inhibitor; T-4049-031 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3cc4ccccc4n3 4163 C30H37NO4S HIV protease inhibitor; T-4049-029 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3ccc4nccc4c3 4164 C30H37NO4S 4-hydroxy-5,6-dihydropyrone deriv., T-4013-030 CC(C)C1(CCc3c4ccccc4nc3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4165 C30H37NO4S 4-hydroxy-5,6-dihydropyrone deriv., T-4013-031 CC(C)C1(CCc3cc4ccccc4n3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4166 C30H37NO4S 4-hydroxy-5,6-dihydropyrone deriv., T-4013-029 CC(C)C1(CCc3ccc4nccc4c3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4167 C30H38N2O6 4-aryl-1,4-dihydropyridine dimer; T-4199-005 [C@]36(CO)[C@]2([H])[N@](C)[C@]5([H])[C@]4(CO)[C@@]([H])(c1ccc(OC)cc1)[C@@]2(C O)[C@]3([H])[N@](C)[C@]4([H])[C@]5(CO)[C@]6([H])c7ccc(OC)cc7 4168 C30H39BrN4O3 4-[(Z)-(4-bromophenyl)(N- methylacetamidoimino)methyl]-1'-(2,6-dimethylbenzoyl)- 4'-methyl-1,4'-bipiperidine c1cc(Br)ccc1/C(=N\OCC(=O)NC)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C 4169 C30H39N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-305 C1N(C)C(=O)CC1C(=O)N(c2cc(CCC5)c5cc2)CCCN3CCC(CC3)Cc4ccccc4 4170 C30H39N5O5 3'-azido-3'-deoxythymidine, retinoyl deriv.; [Zidovudine prodrug] C1[C@H](N=N#N)[C@@H](COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)/CCCC3(C)C)O[C @H]1N2C(=O)NC(=O)C(C)=C2 125780-97-4 4171 C30H39N5O7 kynostatin deriv.; T-4359-003 c1ccccc1COC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N3CC C[C@H]3C(=O)NC(C)C 4172 C30H39N5O7S KNI-125 c1ccccc1COC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N3CS C[C@H]3C(=O)NC(C)(C)C 4173 C30H40BrN3O2 4174 C30H40BrN3O3 4-[(Z)-(4-bromophenyl)(1-methylethoxyimino)methyl]-1'- (2,6-dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine c1cc(Br)ccc1/C(=N\OC(C)C)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C 4-[(E/Z)-(4-bromophenyl)(2- methoxyethoxyimino)methyl]-1'-(2,6-dimethylbenzoyl)-4'- methyl-1,4'-bipiperidine c1cc(Br)ccc1C(=NOCCOC)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C
4175 C30H41N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-401 C1N(CCCC)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)Cc4ccccc4 4176 C30H42N2O5 HIV-1 protease inhibitor; T-4842-026 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@](Cc2ccccc2)([H])C(=O)N[C@@ H]3[C@H](O)CCCC3 4177 C30H42N4O10 L-mannaric acid diamide deriv.; T-4515-039 CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](O Cc2ccccc2)C4(=O).CNC(=O)[C@H]([C@H](O)C)N4 4178 C30H42N8O2 piperidine deriv.; T-4694-025 C1CN(C)CCN1C(=O)Nc2cc3cc(nc3cc2)C(=O)N4CCC(CC4)N(CC)c5ncccc5NC(C)C 4179 C30H42O7 cucurbitacin I CC1(C)C(=O)C(O)=C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@H]([C@](O)(C)C(=O)/C =C/C(C)(C)O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C12 2222-07-3 4180 C30H42O8 phorbol deriv.; T-4227-050 O=C1C(C)=C[C@@]2([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)/C(C)=C/C)[C@@](OC(= O)C(C)CC)(C4(C)C)[C@]4([H])[C@]3([H])C=C(CO)C[C@]12O 4181 C30H43FN8O3S piperidine deriv.; T-4694-037 c1cc(NS(=O)(=O)N5CCN(C)CC5)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4nc(F)ccc4NC(C)( C)C 4182 C30H43N3O5 L-364,505 deriv.; T-4328-012 CC(C)(C)OC(=O)N[C@H](Cc2ccccc2)[C@H](O)C[C@H](Cc2ccccc2)C4(=O).CC(C)C[C@H] (N4)C(=O)N 4183 C30H44N2O8 HIV-1 protease inhibitor; T-4067-027 c1ccccc1CO[C@@H](C(=O)N[C@H](CO)C(C)C)[C@H](O)[C@@H](O)[C@@H](OCc2cccc c2)C(=O)N[C@H](CO)C(C)C 4184 C30H44N8O3S piperidine deriv.; T-4694-028 C1CN(C)CCN1S(=O)(=O)Nc2cc3cc(nc3cc2)C(=O)N4CCC(CC4)N(CC)c5ncccc5NC(C)(C)C 4185 C30H45N3O6 BMS-182,193 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@@H](Cc2ccccc2)N C(=O)OC(C)(C)C 4186 C30H46O2 betuline deriv.; T-4516-030 C1(C)(C)C(=O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C)CC[C @]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4187 C30H46O3 3-deoxy-3-oxo-betulinic acid C1(C)(C)C(=O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C)CC[C @]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4188 C30H46O3 triterpene deriv.; T-4344-015 CC1(C)C(=O)CC[C@]2(C)C3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C @]3(C)CC[C@@H]12 4189 C30H46O5 geumonoid [natural triterpene from Geum japonicum] CC1(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@@H](C)[C@](C(=O)C)(CC[C@@]12[H])CC3= C[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@]4([H])C=C3 4190 C30H47NO3 triterpene acid / hemi ester deriv.; T-4229-003 CC1(C)/C(=N/O)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@] 4(C)[C@]3(C)CC[C@@H]12 4191 C30H47N3O8SSi2 TSAO deriv.; T-4126-155 O1S(=O)(=O)C(c4ccccc4)=C(N)[C@]12[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2 O[Si](C)(C)C(C)(C)C)N3C=C(C)C(=O)NC3=O 4192 C30H48N2O2 betuline deriv.; T-4516-031 C1(C)(C)/C(=N/O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C)C C[C@]5(/C=N/O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4193 C30H48N6O8 AHPBA analogue; T-4457-001 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c cccc1)[C@H](O)CC(=O)NCC(C)CC 4194 C30H48O betuline deriv.; T-4516-037 C1(C)(C)C=CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)=C)CC[C@] 5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4195 C30H48O3 betulinic acid C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(C)= C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 472-15-1
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TerraTox - HIV-1 structure file, Ma
Page 3 and 4:
46 C8H9BrN2O5 47 C8H9BrN2O5 alpha-(
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109 C8H11N3O3S (-)-2'-deoxy-3'-oxa-
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156 C9H9F2N3O3 157 C9H9F2N3O3 158 C
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213 C9H10O4 214 C9H10O5 ethyl 3,4-d
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274 C9H13FN5O4P (2R/S)-6-amino-9-[2
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325 C10H9F2N5O2 9-(2',3'-dideoxy-2'
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376 C10H12FN5O2 2',3'-dideoxyadenos
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433 C10H14FN3O3 1-(2-fluoro-2,3-did
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484 C11H8ClNO2S2 thiazolothiazepine
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545 C11H14N2O4 HEPT analogue; T-398
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597 C12H8ClN5O2 5CITEP; 3-hydroxypr
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645 C12H11ClFN3OS phenethylthiazoly
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698 C12H14N2O3 pyridin-2-ol deriv.;
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749 C13H9BrN2OS 2-amino-6-arylsulfo
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794 C13H11ClN2O3S2 795 C13H11ClN2O3
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843 C13H13ClN2O4S N-(3-chloro-6-ami
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898 C13H15N3OS2 N-(thiazol-2-yl)hio
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951 C14H7F6NO2 Efavirenz analogue;
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1003 C14H9N3S 2-amino-6-arylsulfony
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1052 C14H11F4NO2 Efavirenz analogue
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1096 C14H12N2O3S 2-amino-6-arylsulf
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1142 C14H13N3O 5,11-dihydro-6H-pyri
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1190 C14H15ClN2O2S 1191 C14H15ClN2O
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1243 C14H16N2O3S HEPT derivative; T
Page 51 and 52:
1297 C14H17N3OS 2-(sec-butoxy)-4-am
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1350 C15H8Cl2O3 3-hydroxyflavone, 3
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1406 C15H11F3N2O2S 2-amino-6-arylsu
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1459 C15H12O4 1,3-di(4-hydroxy-3-me
Page 59 and 60:
1510 C15H14FN3O 1511 C15H14FN3O 151
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1558 C15H15N3O 5,11-dihydro-6H-pyri
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1614 C15H16N4O dipyridodiazepinone
Page 65 and 66:
1673 C15H18N2O2S 2-(4-methylphenylt
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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
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1939 C16H16N2O4S NSC 667948 c1c([H]
Page 77 and 78:
1991 C16H18Cl2N2OS pyrimidin-4-ol d
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2054 C16H19N3O3S pyrimidin-4-ol der
Page 81 and 82:
2117 C16H20N2O4 2118 C16H20N2O4S OC
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2180 C16H24N6O5 2181 C16H26N2O5Si 2
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2231 C17H15ClN2O4S indolyl aryl sul
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2294 C17H17N2O7P 7-methyl-cyclo-sal
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2350 C17H19ClF2N4S phenethylthiazol
Page 91 and 92:
2405 C17H20N2O3 N-benzyl-6,7-dihydr
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2472 C17H23N3O TIBO deriv.; T-4175-
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2529 C18H14N2O3S2 1H-thieno[2,3-c][
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2587 C18H18N2O2 pyridin-2-ol deriv.
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threo-2,3-di(3,4-dihydroxybenzyl)su
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2702 C18H24ClN3S R86162 c1c(Cl)cc2N
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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
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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: 4136 C29H50N4O11SSi2 4137 C29H51N5O
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 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 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 209 and 210: 5043 C42H52N6O8 L-mannaric acid dia
Page 211 and 212: 5075 C43H61N5O8 HIV protease inhibi
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5108 C45H42N2O7 cyclic urea deriv.;
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5138 C47H46N6O5 SB-570 5139 C47H46N
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5168 C48H82N2O5 betulinic acid deri
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5196 C55H81N5O14 Indinavir-PEG350(8
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TerraTox - HIV-1 structure file, May 2004. Copyright ... - TerraBase Inc.

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