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

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5093 C44H54N4O8 L-mannaric acid diamide deriv.; T-4514-004 5094 C44H54N4O8 1,6-diphenyl-3,4-diol deriv.; T-4679-010 5095 C44H55N7O7 hydroxyethylhydrazine deriv.; T-4391-331 CNC(=O)[C@H](C(C)C)NC(=O)[C@H](OCc1ccc(c5ccccc5)cc1)[C@H](O)[C@@H](O)[C@ @H](OCc2ccc(c5ccccc5)cc2)C4(=O).CNC(=O)[C@H](C(C)C)N4 N(C(=O)C(NC(=O)OCc3ccccc3)C(C)C)[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H]( Cc2ccccc2)NC(=O)C(NC(=O)OCc4ccccc4)C(C)C c1cc2ccccc2nc1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(C C4CCCCC4)NC(=O)C(NC(=O)OCc5ccccc5)C(C)C 5096 C44H58N4O12 L-mannaric acid diamide deriv.; T-4514-013 5097 C44H61N5O10 meta-/paracyclophane deriv.; T-4410-024 CNC(=O)[C@H](C(C)C)NC(=O)[C@H](OCc1ccc(C5=C(O)C(=O)CCC5)cc1)[C@H](O)[C@ @H](O)[C@@H](OCc2ccc(C5=C(O)C(=O)CCC5)cc2)C4(=O).CNC(=O)[C@H](C(C)C)N4 CC(C)C(NC(=O)OCc4ccccc4)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc2ccc( O3)cc2)C(=O)N[C@@H](C(C)C)C(=O)NCCOCCOCCOCC3 5098 C44H62N4O13SSi2 5099 C44H66N4O4S [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S),2-bis- (methoxycarbonyl)ethyl]carbamoyl]methyl]thymine]-3'- spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) 4,4'-di[[[(di-4-(cyclohexyl)amino]-1-oxo-butyl]amino] diphenylsulfone; NSC 95632 5100 C44H68N2O8 betuline deriv.; T-4516-042 5101 C44H70O8 betuline deriv.; T-4516-041 5102 C44H70O8 betuline deriv.; T-4516-010 5103 C44H70O9 betuline deriv.; T-4516-028 5104 C44H72N2O6 betuline deriv.; T-4516-033 5105 C44H72O8 dihydrobetuline deriv.; T-4516-018 5106 C44H73NO5 betulinic acid deriv.; T-4396-011 5107 C44H74N2O5 betulinic acid deriv.; T-4396-019 [C@]12(OS(=O)(=O)C=C1N)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C )C(C)(C)C)N3C=C(C)C(=O)N(C3=O)CC(=O)N[C@H](CC(=O)OCc4ccccc4)C(=O)OCc4cccc c4 c1cc(NC(=O)CCCN(C3CCCCC3)C4CCCCC4)ccc1S(=O)(=O)c2ccc(NC(=O)CCCN(C3CCC CC3)C4CCCCC4)cc2 C1(C)(C)/C(=N/OC(=O)CC(C)(C)CC(=O)O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5 ([H])[C@]([H])(C(C)=C)CC[C@]5(/C=N/OC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3(C) CC[C@@]12([H]) C1(C)(C)[C@@](OC(=O)CC(C)(C)CC(=O)O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C @@]5([H])[C@]([H])(C(C)=C)CC[C@]5(COC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3( C)CC[C@@]12([H]) C1(C)(C)[C@](OC(=O)CC(C)(C)CC(=O)O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@ @]5([H])[C@]([H])(C(C)=C)CC[C@]5(COC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3(C) CC[C@@]12([H]) C1(C)(C)[C@](O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])(C(COC (=O)CC(C)(C)CC(=O)O)=C)CC[C@]5(COC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3(C) CC[C@@]12([H]) C1(C)(C)[C@@H](NC(=O)CC(C)(C)CC(=O)O)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@ @]5([H])[C@]([H])(C(C)=C)CC[C@]5(CNC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3(C) CC[C@@]12([H]) C1(C)(C)[C@](OC(=O)CC(C)(C)CC(=O)O)([H])CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@ @]5([H])[C@]([H])(C(C)C)CC[C@]5(COC(=O)CC(C)(C)CC(=O)O)CC[C@@]4(C)[C@]3(C)C C[C@@]12([H]) C1(C)(C)[C@@H](OC(=O)C)CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@]([H])( C(C)=C)CC[C@]5(C(=O)NCCCCCCCCCCC(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@@]12([ H]) C1(C)(C)[C@@H](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)NCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)O)CC[C@@]4(C)[C@]3(C)C C[C@@]12([H])
5108 C45H42N2O7 cyclic urea deriv.; T-4415-026 5109 C45H42N6O5 SB-561 5110 C45H51N7O8 hydroxyethylhydrazine deriv.; T-4391-334 5111 C45H56N4O6 pseudo peptide, T-4330-012 1,5-diphenyl-2,4-diaminopentan-3-ol deriv.; T-4324- 5112 C45H56N4O7 016 1,5-diphenyl-2,4-diaminopentan-3-ol deriv.; T-4324- 5113 C45H56N4O7 017 5114 C45H60Cl2O6 cosalane 5115 C45H61N7O7 HIV protease inhibitor; 4069-002 O[C@H]1[C@@H](Cc2cc3OCCOc3cc2)N(Cc2cc3ccccc3cc2)C(=O)N(Cc2cc3ccccc3cc2)[C @H](Cc2cc3OCCOc3cc2)[C@@H]1O O[C@H]1[C@@H](Cc2ccccc2)N(Cc5cc(C(=O)Nc6ccccn6)ccc5)C(=O)N(Cc5cc(C(=O)Nc6cc ccn6)ccc5)[C@H](Cc3ccccc3)[C@@H]1O c1cc2ccccc2nc1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(C c4ccc(OC)cc4)NC(=O)C(NC(=O)OCc5ccccc5)C(C)C c1ccccc1C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](Cc3ccc(cc3)c4ccccc4)C(=O) N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N)Cc2ccccc2 c1ccccc1C[C@]([H])(NC(=O)C(NC(=O)OCc3ccccc3)C(C)CC)[C@@H](O)[C@@H](NC(=O) C(NC(=O)OCc3ccccc3)C(C)CC)Cc2ccccc2 c1ccccc1C[C@]([H])(NC(=O)C(NC(=O)OCc3ccccc3)CC(C)C)[C@@H](O)[C@@H](NC(=O) C(NC(=O)OCc3ccccc3)CC(C)C)Cc2ccccc2 c1c(Cl)c(O)c(C(=O)O)cc1/C(c2cc(C(=O)O)c(O)c(Cl)c2)=C/CC[C@H]3CC[C@]4(C)[C@@]5( [H])CC[C@]6(C)[C@@H](C(C)CCCC(C)C)CC[C@@]6([H])[C@]5([H])CC[C@@]4([H])C3 c1cccc2cccc(c12)OCC(=O)N[C@@H](Cc2cncn2)C(=O)N[C@@H](CC3CCCCC3)[C@@H]( O)[C@H](O)[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)NCc4ncccc4 5116 C45H62N4O9 N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-[(tert- butyloxycarbonyl)amino]-4(S)-hydroxy-6-[4-(2- morpholinyl)ethoxy]phenyl-2(R)-[(4-[2- (morpholinyl)ethoxy]-phenyl)methyl]hexanamide c1cc(OCCN5CCOCC5)ccc1C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](Cc2ccc(O CCN5CCOCC5)cc2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34 5117 C45H64N4O13SSi2 5118 C45H65NO6 [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S),3-bis- [C@]12(OS(=O)(=O)C=C1N)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C (methoxycarbonyl)propyl]carbamoyl]methyl]thymine]-3'- )C(C)(C)C)N3C=C(C)C(=O)N(C3=O)CC(=O)N[C@H](CCC(=O)OCc4ccccc4)C(=O)OCc4ccc spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) cc4 3-beta-(3',3'-dimethylglutaryl)amido-3-deoxy-betulinic acid 28-O-phenacyl ester 5119 C45H76N2O5 betulinic acid deriv.; T-4396-016 CC1(C)[C@@H](NC(=O)CC(C)(C)CC(=O)O)CC[C@]2(C)C3CCC4[C@H]5[C@H](C(C)=C)C C[C@]5(C(=O)OCC(=O)c6ccccc6)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 C1(C)(C)[C@@H](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)NCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC)CC[C@@]4(C)[C@]3(C) CC[C@@]12([H]) 5120 C45H76O12S 5121 C46H50N4O8 KM043; 1-(1'-O-alpha-D-sulfoquinovosyl)-2-palmitoyl-3- [5''(E),8''(E),11''(E),14''(E),17''(E)-eicosapentaenyl]-synglycerol [structure shown is provided by authors, name O[C@H]1[C@H](O)[C@H](O)[C@H](CS(=O)(=O)O)O[C@H]1OCC(OC(=O)CCCCCCCCCC is inconsistent with structure] CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC N,N',N'',N'''-tetracoumaroyl-1,5-10,14- tetraazatetradecane N(C(=O)/C=C/c2ccc(O)cc2)CCCN(C(=O)/C=C/c2ccc(O)cc2)CCCCN(C(=O)/C=C/c2ccc(O)c c2)CCCNC(=O)/C=C/c2ccc(O)cc2 5122 C46H54N18O8 Dist-CO-(trans-1,2-cyclobutane)-CO-Dist; Dist= distamicynyl O=C(Nc1cn(C)c(c1)C(=O)Nc2cn(C)c(c2)C(=O)Nc3cnc(c3)C(=O)NCCC(N)=N)[C@H](CC4)[ C@@H]4C(=O)Nc1cn(C)c(c1)C(=O)Nc2cn(C)c(c2)C(=O)Nc3cnc(c3)C(=O)NCCC(N)=N
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-
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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 and 52:
1297 C14H17N3OS 2-(sec-butoxy)-4-am
Page 53 and 54:
1350 C15H8Cl2O3 3-hydroxyflavone, 3
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: 4647 C35H38N2O3 cyclic urea deriv.;
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: 5075 C43H61N5O8 HIV protease inhibi
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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