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

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3696 C25H30N2O3 XK-216 O[C@H]1[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@H](Cc3ccccc3)[C@@H]1O 3697 C25H30O3 HIV protease inhibitor; 4069-016 c1ccccc1CCC2(CCC)OC(=O)C(=C(O)C2)C(CC)c3ccccc3 3698 C25H30O6 alkenyldiarylmethane derivative; T-4051-040 c1cc(OC)c(C(=O)OC)cc1/C(c2cc(C(=O)OC)c(OC)cc2)=C/CCCCC 3699 C25H31N3OS pyrimidin-4-ol deriv.; T-4195-535 n1c(SC(C)CC)nc(O)c(CN2CCCCC2)c1Cc2cccc3ccccc23 3700 C25H31N5O piperidine deriv.; T-4694-005 c1cccc2cc(nc12)C(=O)N3CCC(CC3)N(C5CC5)c4ncccc4NC(C)C 3701 C25H32BrN7O4S Trovirdine analogue; T-4171-096 n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)C/C=C/CN3C(=O)C=CN(C3=O)[C@H]4C=C[C@@H ](CO)o4 3702 C25H32N2O6 HIV-1 protease inhibitor; T-4842-037 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CC(=O)N[C@@H]2[C@H](O)Cc3cc ccc23 3703 C25H32N6O3S piperidine deriv.; T-4694-011 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(C)c4ncccc4NC5(C)CC5 3704 C25H32N6O3S piperidine deriv.; T-4694-009 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(C)c4ncccc4NCC5CC5 3705 C25H32O6 6,6-dimethyl-10-(2,2-dimethyl-3-hydroxybutanoyl)-9- hydroxy-4-propyl-2H,6H-benzo[1,2-b:3,4-b']dipyran-2- one (+/-) O[C@](C)([H])C(C)(C)C(=O)c1c(OCC)c2C=CC(C)(C)Oc2c3C(CCC)=CC(=O)Oc13 3706 C25H32O6 6,6-dimethyl-10-(2,3-dimethyl-3-hydroxybutanoyl)-9- hydroxy-4-propyl-2H,6H-benzo[1,2-b:3,4-b']dipyran-2- one (+/-) OC(C)(C)[C@](C)([H])C(=O)c1c(OCC)c2C=CC(C)(C)Oc2c3C(CCC)=CC(=O)Oc13 3707 C25H32O8 aspidin BB O=C1C(C(=O)CCC)=C(O)C(C)(C)C(O)=C1Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O 584-28-1 3708 C25H33FN6O3S piperidine deriv.; T-4694-032 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(C)c4nc(F)ccc4NC(C)(C)C 3709 C25H33FN6O3S piperidine deriv.; T-4694-033 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4nc(F)ccc4NC(C)C 3710 C25H33NO4S2 HIV protease inhibitor; T-4049-013 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3cscn3 3711 C25H33NO4S2 HIV protease inhibitor; T-4049-012 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3nccs3 3712 C25H33NO4S2 HIV protease inhibitor; T-4049-014 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3scnc3 3713 C25H33NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-013 CC(C)C1(CCc3cscn3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3714 C25H33NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-012 CC(C)C1(CCc3nccs3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3715 C25H33NO4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-014 CC(C)C1(CCc3scnc3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3716 C25H33N7O2 piperidine deriv.; T-4694-004 c1cc(NC(=O)NC)cc2cc(nc12)C(=O)N3CCC(CC3)N(C)c4ncccc4NC(C)C 3717 C25H34BrN7O4S Trovirdine analogue; T-4171-092 n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)CCCCN3C(=O)C=CN(C3=O)[C@H]4C=C[C@@H](C O)o4 3718 C25H34BrN7O4S Trovirdine analogue; T-4171-101 n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)CCCN3C(=O)C(C)=CN(C3=O)[C@H]4C=C[C@@H]( CO)o4 3719 C25H34BrN7O5S Trovirdine analogue; T-4171-094 n1cc(Br)ccc1NC(=S)NCCN2CCN(CC2)CCOCCN3C(=O)C=CN(C3=O)[C@H]4C=C[C@@H] (CO)o4 3720 C25H34ClN3O6 3-amino-2-hydroxy-4-phenylbutanoic acid deriv.; T- 4442-014 C1OCC=C[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
3721 C25H34N10NaO9PS B1 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(C)CCCC)nc56)[C@H](O)[C@@H]2O.[Na+] 3722 C25H34N2O3 cyclic urea deriv.; T-4100-009 O[C@H]1[C@@H](Cc2ccccc2)N(CCC)C(=O)N(CCC)[C@H](Cc3ccccc3)[C@@H]1O 3723 C25H34N2O4S HIV protease inhibitor; T-4049-007 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3cncn3 3724 C25H34N2O4S HIV protease inhibitor; T-4049-006 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3nncc3 3725 C25H34N2O4S 4-hydroxy-5,6-dihydropyrone deriv., T-4013-007 CC(C)C1(CCc3ncnc3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3726 C25H34N2O4S 4-hydroxy-5,6-dihydropyrone deriv., T-4013-006 CC(C)C1(CCc3nncc3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3727 C25H34N2O4S2 HIV protease inhibitor; T-4049-028 c1c(C)c(CO)cc(C(C)(C)C)c1SC2=C(O)CC(OC2=O)(C(C)C)CCc3csc(N)n3 3728 C25H34N2O4S2 4-hydroxy-5,6-dihydropyrone deriv., T-4013-028 CC(C)C1(CCc3csc(N)n3)CC(O)=C(C(=O)O1)Sc2c(C(C)(C)C)cc(CO)c(C)c2 3729 C25H34N2O5 cyclic urea deriv.; T-4100-014 O[C@H]1[C@@H](Cc2ccccc2)N(CCOC)C(=O)N(CCOC)[C@H](Cc3ccccc3)[C@@H]1O 3730 C25H34N6O3S piperidine deriv.; T-4694-021 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(C(C)C)c4ncccc4NCC 3731 C25H34N6O3S piperidine deriv.; T-4694-007 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(C)c4ncccc4NC(C)(C)C 3732 C25H34N6O3S piperidine deriv.; T-4694-012 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4ncccc4NC(C)C 3733 C25H34N6O3S piperidine deriv.; T-4694-022 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4ncccc4NCCC 3734 C25H34N6O3S piperidine deriv.; T-4694-020 c1cc(NS(=O)(=O)C)cc2cc(nc12)C(=O)N3CCC(CC3)N(CCC)c4ncccc4NCC 3735 C25H34N6O3S piperidine deriv.; T-4694-018 c1cc(NS(=O)(=O)CC)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4ncccc4NCC O=C1[C@H](C(=C)C=O)C[C@]2(C)[C@@H](C(=O)O)CCC(C2=C1)OC(=O)/C(C)=C\C(C)C CCC 3736 C25H34O6 integric acid 3737 C25H34O7 NSC 7576 3738 C25H34O7 RD4-2176 3739 C25H35NO4 phomasetin 3740 C25H35N3O6S Amprenavir; VX-478; 141W94 3-amino-2-hydroxy-4-phenylbutanoic acid deriv.; T- 3741 C25H36ClN3O5 4442-002 3-amino-2-hydroxy-4-phenylbutanoic acid deriv.; T- 3742 C25H36ClN3O6 4442-015 3743 C25H36N2O6Si 3744 C25H36N2O8Si O=C1CC[C@@]2(C)C(=C1)CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@]4(C)[C@@H](C(=O) COC(=O)CCC(=O)O)CC[C@@]34[H] O=C2[C@@]13/C=C(/C)[C@]([H])(OC(=O)C)[C@@]1(O)[C@]([H])(OC(=O)C)C(=C[C@@]2 ([H])[C@@]4([H])[C@@]([H])(C[C@]3(C)[H])C4(C)C)COC C1[C@H](C)CC[C@]2([H])[C@@](C)(/C(O)=C4/C(=O)[C@@H](CO)N(C)C4=O)[C@@H](/C =C/C=C/C)C(C)=CC12 207791-30-8 C1OCC[C@H]1OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc 3 161814-49-9 C1CCCC1OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O) NC(C)(C)C C1OCCC[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 N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- C1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C=C(C)C(=O)N(CC(=O)OCc3ccccc3)C2= dione deriv.; T-4254-022 O N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- [C@@H]1(O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C=C(C)C(=O)N(CC(=O dione deriv.; T-4254-008 )OCc3ccccc3)C2=O
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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
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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: 3674 C25H24O12 (-)-3,5-dicaffeoyl-m
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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