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

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4036 C28H38N2O2 4037 C28H38N2O3S 4-[(methoxyphenyl)methyl]-1'-(2,6-dimethylbenzyl)-4'- methyl-1,4'-bipiperidine 4-[(methylsulfonylphenyl)methyl]-1'-(2,6- dimethylbenzyl)-4'-methyl-1,4'-bipiperidine 4038 C28H38N2O5 pseudo peptide, T-4330-049 4-[(methiophenyl)methyl]-1'-(2,6-dimethylbenzyl)-4'- 4039 C28H38N2OS methyl-1,4'-bipiperidine c1cc(OC)ccc1CC2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C c1cc(S(=O)(=O)C)ccc1CC2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC)C(=O)N[C@]2([H])[C@ H](O)Cc3ccccc23 c1cc(SC)ccc1CC2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C 4040 C28H38N4O5S 4-[(Z)-(methoxyimino)[4-(methylsulfonyl)phenyl]methyl]- 1'-[(2,4-dimethyl-3-piperidinyl)carbonyl]-4'-methyl-1,4'- bipiperidine N-oxide c1cc(S(=O)(=O)C)ccc1/C(=N\OC)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cc[n+]([O-])c4C 4041 C28H39NO4S2 HIV protease inhibitor; T-4049-025 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3c(C(C)C)scn3 4042 C28H39NO4S2 HIV protease inhibitor; T-4049-024 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3csc(C(C)C)n3 4043 C28H39NO4S2 HIV protease inhibitor; T-4049-023 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3nc(C(C)C)cs3 4044 C28H39NO4S2 HIV protease inhibitor; T-4049-026 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3scnc3C(C)C 4045 C28H39NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-025 CC(C)C1(CCc3c(C(C)C)scn3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4046 C28H39NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-024 CC(C)C1(CCc3csc(C(C)C)n3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4047 C28H39NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-023 CC(C)C1(CCc3nc(C(C)C)cs3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4048 C28H39NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-026 CC(C)C1(CCc3scnc3C(C)C)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 4049 C28H40BrN7O4S Trovirdine analogue; T-4171-103 n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)CCCCCCN3C(=O)C(C)=CN(C3=O)[C@H]4C=C[C@ @H](CO)o4 4050 C28H40ClN3O10 3-amino-2-hydroxy-4-phenylbutanoic acid deriv.; T- 4442-016 CO[C@@H]1OC[C@H]2OC(OC)O[C@H]2[C@@H]1OC(=O)N[C@@H](Cc2ccccc2)[C@H]( O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C 4051 C28H40N10NaO9PS B3 C1[C@H](n3cnc4c(ncnc34)N)O[C@H](CO)[C@H]1OP(=O)([S- ])OC[C@H]2O[C@@H](n5cnc6c(O)nc(N(CCCC)CCCC)nc56)[C@H](O)[C@@H]2O.[Na+] 4052 C28H40N2O5 HIV-1 protease inhibitor; T-4842-049 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc2ccccc2)CC(=O)OC(C)(C)C 4053 C28H40N2O6 threo-2,3-di(3,4-dihydroxybenzyl)succinic acid mono-ndecylamide c1cc(O)c(O)cc1C[C@H](C(=O)N)[C@@H](C(=O)NCCCCCCCCCC)Cc2cc(O)c(O)cc2 1,6-diphenyl-2,5-diaminohexan-3,4-diol deriv. (3R,4S); c1ccccc1C[C@]([H])(NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@]([H])(Cc2ccccc2)NC( 4054 C28H40N2O6 T-4324-020 =O)OC(C)(C)C 4055 C28H40N2O6 4056 C28H40N2O6 1,6-diphenyl-2,5-diaminohexan-3,4-diol deriv. (3R,4R); T-4324-018 1,6-diphenyl-2,5-diaminohexan-3,4-diol deriv. (3S,4S); T-4324-019 c1ccccc1C[C@]([H])(NC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@]([H])(Cc2ccccc2)NC(= O)OC(C)(C)C c1ccccc1C[C@]([H])(NC(=O)OC(C)(C)C)[C@H](O)[C@@H](O)[C@]([H])(Cc2ccccc2)NC(= O)OC(C)(C)C
4057 C28H40N8O3S piperidine deriv.; T-4694-024 C1CN(C)CCN1S(=O)(=O)Nc2cc3cc(nc3cc2)C(=O)N4CCC(CC4)N(CC)c5ncccc5NCC 4058 C28H40O8 phorbol deriv.; T-4227-110 O=C1C(C)=C[C@@]2([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)C)[C@@](OC(=O)CCCC C)(C4(C)C)[C@]4([H])[C@]3([H])C=C(CO)C[C@]12O 4059 C28H41N3O4 E913 c1c(OCCO4)c4ccc1CN2CCC3(CC2)N(CCCC)C(=O)C(CC5CCCCC5)NC3=O 4060 C28H45N3O2 E910 c1ccccc1CCCCCCN2CCC3(CC2)N(CCCC)C(=O)C(CC(C)C)NC3=O 4061 C28H47N3O10SSi2 TSAO deriv.; T-4126-151 O1S(=O)(=O)C(/C=C/C(=O)OC)=C(N)[C@]12[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)NC3=O 4062 C28H47N3O8SSi2 TSAO deriv.; T-4126-175 O1S(=O)(=O)C(C#CC)=C(N)[C@]12[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(C)C3=O 4063 C28H47N3O9SSi2 D-ribofuranosyl derivative; T-4059-141 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@]2(C(N)=CS(=O)(=O)O2)[C@@H](CO[Si](C)(C)C(C)(C )C)O[C@@H]1NC(=O)Nc3ccccc3C(=O)OC 4064 C28H47N3O9SSi2 D-ribofuranosyl derivative; T-4059-142 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@]2(C(N)=CS(=O)(=O)O2)[C@@H](CO[Si](C)(C)C(C)(C )C)O[C@H]1NC(=O)Nc3ccccc3C(=O)OC 4065 C28H47N5O7 hydroxyethylhydrazine deriv.; T-4391-702 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)NC(=O)[ C@@H](C(C)C)NC(=O)OC 4066 C28H49N3O8SSi2 TSAO deriv.; T-4126-006 O1S(=O)(=O)C(CC=C)=C(N)[C@]12[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(C)C3=O 4067 C28H49N3O8SSi2 TSAO deriv.; T-4126-005 O1S(=O)(=O)C=C(NCC=C)[C@]12[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(C)C3=O 4068 C28H49N3O9SSi2 TSAO deriv.; T-4126-172 O1S(=O)(=O)C(/C=C/CO)=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)N(C)C3=O 4069 C29H18O6 3,3'-(2-naphthalenomethylene)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)c5cc6ccccc6cc5 4070 C29H18O8 3,3'-(2-naphthalenomethylene)bis(4,7- dihydroxycoumarin) C(C1=C(O)c2ccc(O)cc2OC1=O)(C1=C(O)c2ccc(O)cc2OC1=O)c3cc4ccccc4cc3 4071 C29H20FeO6 3,3'-(ferrocenomethylen)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)C12C3C4C5C1[Fe]2345789%10C 6C7C8C9C6%10 4072 C29H29Cl2NO8 ethyl 4-[bis(8-chloro-2,2-dimethyl-4-oxobenzo[3,4-E]- 1,3-dioxin-6-yl)methylene]piperidinecarboxylate c1c(Cl)c(OC(C)(C)O4)c(C4=O)cc1/C(c2cc(C5=O)c(OC(C)(C)O5)c(Cl)c2)=C3/CCN(C(=O)O CC)CC3 4073 C29H31IN2O TAK-779 derivative; T-4053-001 c1ccccc1c2ccc3CCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+]5(C)CCCC5.[I-] 4074 C29H31IN2O2 quaternary ammonium salt; 4128-104 c1ccccc1c2ccc3CCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+]5(CCOCC5)C.[I-] 4075 C29H31N2O9P bis(alpha-(R/S)-methoxycarbonylbenzyl)-2,3'-dideoxy- 2,3'-didehydrothymidine monophosphate 4076 C29H32BrN8O11P Zidovudine deriv.; T-4192-023 4077 C29H32BrClN7O9P Zidovudine deriv.; T-4192-022 4078 C29H32O13 Etoposide; VP-16 c1ccccc1C(CC(=O)C)OP(OC(CC(=O)C)c2ccccc2)(=O)O[C@@H]3C=C[C@@H](O3)N4C(= O)NC(=O)C(C)=C4 c1cc(N(=O)=O)ccc1OP(NC(C(=O)OC)Cc3cnc4ccccc34)(=O)OC[C@@H]2[C@@H](N=N#N) C[C@@H](O2)N3C(=O)NC(=O)[C@@](C)(Br)[C@H]3OC c1cc(Cl)ccc1OP(NC(C(=O)OC)Cc3cnc4ccccc34)(=O)OC[C@@H]2[C@@H](N=N#N)C[C@ @H](O2)N3C(=O)NC(=O)[C@@](C)(Br)[C@H]3OC c1c(OCO2)c2cc3C(O[C@@H]6O[C@@H]7CO[C@@H](C)O[C@H]7[C@H](O)[C@H]6O)C 4COC(=O)[C@@H]4[C@H](c5cc(OC)c(O)c(OC)c5)c13 33419-42-0
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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
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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
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
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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
Page 37 and 38:
951 C14H7F6NO2 Efavirenz analogue;
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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: 4017 C28H36ClN3O6 2-methyl-3-hydrox
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 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
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5013 C41H47N3O5 cyclic urea deriv.;
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5043 C42H52N6O8 L-mannaric acid dia
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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
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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