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

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3648 C25H15NO8 3,3'-(4-nitrobenzylidene)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)c5ccc(N(=O)=O)cc5 3649 C25H16Cl2O6 3-hydroxyflavone, 3',4'-dichloro, 3-yl-(ferulic acid) ester c1cccc2OC(=C(OC(=O)/C=C/c4cc(OC)c(O)cc4)C(=O)c12)c3cc(Cl)c(Cl)cc3 3-hydroxyflavone, 3',4'-dichloro, 3-yl-(acetylvanillic acid) 3650 C25H16Cl2O7 ester c1cccc2OC(=C(OC(=O)c4cc(OC)c(OC(=O)C)cc4)C(=O)c12)c3cc(Cl)c(Cl)cc3 3651 C25H16O6 3,3'-benzylidenebis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(c5ccccc5)C3=C(O)c4ccccc4OC3=O 3652 C25H16O7 3,3'-(4-hydroxybenzylidene)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)c5ccc(O)cc5 3653 C25H16O8 3,3'-benzylidenebis(4,7-dihydroxycoumarin) c1ccccc1C(C1=C(O)c2ccc(O)cc2OC1=O)C1=C(O)c2ccc(O)cc2OC1=O 3654 C25H17ClO6 3-hydroxyflavone, 4'-chloro, 3-yl-(ferulic acid) ester c1cccc2OC(=C(OC(=O)/C=C/c4cc(OC)c(O)cc4)C(=O)c12)c3ccc(Cl)cc3 3-hydroxyflavone, 4'-chloro, 3-yl-(acetylvanillic acid) 3655 C25H17ClO7 ester c1cccc2OC(=C(OC(=O)c4cc(OC)c(OC(=O)C)cc4)C(=O)c12)c3ccc(Cl)cc3 3656 C25H18F2N2 benzimidazole deriv.; T-4689-040 Fc1cccc(F)c1Cc2nc3cccc(C)c3n2c4c5ccccc5ccc4 3657 C25H18F2N2 benzimidazole deriv.; T-4689-041 Fc1cccc(F)c1Cc2nc3cccc(C)c3n2c4cc5ccccc5cc4 3658 C25H20ClN3O5S O-(2-phthalimidoethyl) deriv.; T-4418-046 c1cccc2C(=O)N(C(=O)c12)CCOC(=S)N(C(=O)c4ccc(Cl)nc4)c3ccc(OCC)cc3 3659 C25H20N2O3S benzothiadiazine dioxide deriv.; T-4194-018 c1cccc2c(cccc12)CN2S(=O)(=O)N(Cc3ccccc3)C(=O)c4ccccc24 3660 C25H20N2O5S2 O-(2-phthalimidoethyl) deriv.; T-4418-032 c1cccc2C(=O)N(C(=O)c12)CCOC(=S)NC(C(=O)c4sccc4)c3cccc(C(=O)C)c3 3661 C25H20N2O8 3,5-di(caffeoyldiamino)benzoic acid c1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(C(=O)O)cc1NC(=O)/C=C/c2ccc(O)c(O)c2 3662 C25H20O4 1,3-di[1-(4-hydroxyphenyl)prop-1-en-3-on-3-yl]benzene c1cc(O)ccc1/C=C/C(=O)/c2cccc(c2)CC(=O)/C=C/c2ccc(O)cc2 1,3-di[1-(3,4-dihydroxyphenyl)prop-1-en-3-on-3- 3663 C25H20O6 yl]benzene c1c(O)c(O)ccc1/C=C/C(=O)/c2cccc(c2)CC(=O)/C=C/c2ccc(O)c(O)c2 3664 C25H22N2O4S2 O-(2-phthalimidoethyl) deriv.; T-4418-027 c1cccc2C(=O)N(C(=O)c12)CCOC(=S)NC(C(=O)c4sccc4)c3ccccc3CC 3665 C25H22N2O5S O-(2-phthalimidoethyl) deriv.; T-4418-039 c1cccc2C(=O)N(C(=O)c12)CCOC(=S)NC(C(=O)c4occc4)c3ccc(CC)cc3 3666 C25H23BrFN4O4 PETT-4 CCC(=O)c1ccc(F)c(c1OC(=O)c2cc([N+])ccc2)[C@H]3C[C@H]3NC(=O)Nc4ccc(Br)cn4 ethyl 4-(4',4''-dimethoxy-3',3''-dicarboxy-5',5''-dichlorodiphenylmethylene)piperidine c1c(Cl)c(OC)c(C(=O)[O-])cc1/C(c2cc(C(=O)[O- 3667 C25H23Cl2NNa2O8 carboxylate disodium salt ])c(OC)c(Cl)c2)=C3/CCN(C(=O)OCC)CC3.[Na+].[Na+] 3668 C25H24ClNO4 NSC 630922; UC800 c1cccc(OC)c1C(=O)N(Cc2ccccc2)c3cc(C(=O)OC(C)C)c(Cl)cc3 3669 C25H24F3N3O5 K-11 OCc1ccccc1N2CCN(CC2)c3c(F)cc4C(=O)C(C(=O)O)=CN(C5CC5)c4c3OC(F)F 3670 C25H24N2O3 1-[(benzyloxy)methyl]-5-methyl-6-(1- naphthylmethyl)uracil c1cccc2c(cccc12)CC3=C(C)C(=O)NC(=O)N3COCCc4ccccc4 3671 C25H24N2O3 1-[(benzyloxy)methyl]-5-methyl-6-(2- naphthylmethyl)uracil c1cccc2cc(ccc12)CC3=C(C)C(=O)NC(=O)N3COCCc4ccccc4 3672 C25H24N6O Hoechst 33258, [CAS for trihydrochloride] C1CN(C)CCN1c2ccc3nc(nc3c2)c4ccc5nc(nc5c4)c6ccc(O)cc6 23491-45-4 C1[C@](C(=O)O)(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H]1OC(=O)/ 3673 C25H24O12 (-)-3,5-dicaffeoylquinic acid C=C/c2ccc(O)c(O)c2
3674 C25H24O12 (-)-3,5-dicaffeoyl-muco-quinic acid 3675 C25H24O12 (-)-4,5-dicaffeoylquinic acid 3676 C25H24O12 MCQ 3677 C25H24O12 1,3-dicaffeoylquinic acid 3678 C25H24O12 3,4-dicaffeoylquinic acid 3679 C25H24O12 1,5-dicaffeoylquinic acid C1[C@](C(=O)O)(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H]1OC(=O)/C= C/c2ccc(O)c(O)c2 C1[C@](C(=O)O)(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O )c(O)c2)[C@@H]1O c1cc(O)c(O)cc1/C=C/C(=O)O[C@H]2C[C@](C(=O)O)(O)C[C@@H]([C@H]2O)OC(=O)/C=C /c3cc(O)c(O)cc3 O(C(=O)/C=C/c2ccc(O)c(O)c2)[C@]1(C(=O)O[H])C[C@@H](O)[C@H](O)[C@H](OC(=O)/C =C/c2ccc(O)c(O)c2)C1 OC(=O)[C@@]1(O)C[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](OC(=O)/C=C /c2ccc(O)c(O)c2)C1 OC(=O)[C@@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C @H](O)[C@H](O)C1 3680 C25H24O5 soulattrolide O[C@H]1[C@@H](C)[C@H](C)Oc2c3C=CC(C)(C)Oc3c4C(c5ccccc5)=CC(=O)Oc4c12 65025-62-9 3681 C25H25Cl2NO8 ethyl 4-(4',4''-dimethoxy-3',3''-dicarboxy-5',5''-dichlorodiphenylmethylene)piperidine carboxylate c1c(Cl)c(OC)c(C(=O)O)cc1/C(c2cc(C(=O)O)c(OC)c(Cl)c2)=C3/CCN(C(=O)OCC)CC3 3682 C25H25NO6S O-(2-phenoxyethyl) thiocarbamate deriv.; T-4418-704 c1ccccc1OCCOC(=S)N(c2ccccc2)C(=O)c3cc(OC)c(OC)c(OC)c3 3683 C25H25N5O bis(heteroaryl)piperazine deriv.; T-4422-064 c5ccccc5CNc1cccnc1N2CCN(CC2)C(=O)c3nc4ccccc4c3 3684 C25H26Cl2O8 alkenyldiarylmethane derivative; T-4051-016 c1c(Cl)c(OC)c(C(=O)OC)cc1/C(c2cc(C(=O)OC)c(OC)c(Cl)c2)=C/C(=O)OC(C)(C)C 3685 C25H26Cl2O8 alkenyldiarylmethane derivative; T-4051-022 c1c(Cl)c(OC)c(C(=O)OC)cc1/C(c2cc(C(=O)OC)c(OC)c(Cl)c2)=C/CCCC(=O)OC 3686 C25H26N2O2 cyclic urea deriv.; T-4423-104 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4ccccc4)C(=O)N(Cc3ccccc3)C1 3687 C25H26N2O3 cyclic urea deriv.; T-4100-027 O[C@H]1[C@@H](Cc2ccccc2)N(CC#C)C(=O)N(CC#C)[C@H](Cc3ccccc3)[C@@H]1O 3688 C25H26O12 3689 C25H27N2O7P 1,4,8-trihydroxynaphthalene 1-O-beta-D-[6'-O-(4'- hydroxy-3',5'-dimethoxybenzoyl)]glucopyranoside bis(alpha-(R)-methylbenzyl)-2,3'-dideoxy-2,3'- didehydrothymidine monophosphate O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)c2cc(OC)c(O)c(OC)c2)O[C@H]1Oc3c cc(O)c4cccc(O)c34 c1ccccc1[C@@H](C)OP(O[C@H](C)c2ccccc2)(=O)O[C@@H]3C=C[C@@H](O3)N4C(=O) NC(=O)C(C)=C4 3690 C25H28Br2O6 alkenyldiarylmethane derivative; T-4051-001 c1c(Br)c(OC)c(C(=O)OC)cc1/C(c2cc(C(=O)OC)c(OC)c(Br)c2)=C/CCCCC 3691 C25H28Br2O7 alkenyldiarylmethane derivative; T-4051-012 c1c(Br)c(OC)c(C(=O)OC)cc1C3(c2cc(C(=O)OC)c(OC)c(Br)c2)C(O3)CCCCC 3692 C25H28I2O6 alkenyldiarylmethane derivative; T-4051-044 c1c(I)c(OC)c(C(=O)OC)cc1/C(c2cc(C(=O)OC)c(OC)c(I)c2)=C/CCCCC 4alpha,5,8-trihydroxy-alpha-tetralone 5-O-beta-D-[6'-O- O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)c2cc(OC)c(O)c(OC)c2)O[C@H]1Oc3c 3693 C25H28O13 (4'-hydroxy-3',5'-dimethoxybenzoyl)]glucopyranoside cc(O)c4C(=O)CC[C@H](O)c34 3694 C25H29FN4O4 K-42 OCc1ccccc1N2CCN(CC2)c3c(F)cc4C(=O)C(C(=O)O)=CN(C)c4c3CN(C)C n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)CC#CCN3C(=O)C=CN(C3=O)[C@H]4C=C[C@@H]( 3695 C25H30BrN7O4S Trovirdine analogue; T-4171-095 CO)o4
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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
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: 3630 C24H42IN3O8SSi2 TSAO deriv.; T
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 195 and 196:
4798 C37H38N2O9 cyclic urea deriv.;
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

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