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

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4273 C31H42BrN3O2 4-[(Z)-(4-bromophenyl)(1,1- dimethylethoxyimino)methyl]-1'-(2,6-dimethylbenzoyl)-4'- methyl-1,4'-bipiperidine c1cc(Br)ccc1/C(=N\OC(C)(C)C)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C 4274 C31H42N2O3 cyclic urea deriv.; T-4100-030 O[C@H]1[C@@H](Cc2ccccc2)N(CC4CCCC4)C(=O)N(CC5CCCC5)[C@H](Cc3ccccc3)[C@ @H]1O 4275 C31H43FN8O2 piperidine deriv.; T-4694-036 c1cc(NC(=O)N5CCN(C)CC5)cc2cc(nc12)C(=O)N3CCC(CC3)N(CC)c4nc(F)ccc4NC(C)(C)C 4276 C31H43N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-304 C1N(C)C(=O)CC1C(=O)N(c2ccc(C(C)(C)C)cc2)CCCN3CCC(CC3)Cc4ccccc4 4277 C31H44FN5O7 hydroxyethylhydrazine deriv.; T-4391-705 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(F)cc2)NC (=O)[C@@H](C(C)C)NC(=O)OC 4278 C31H44N2O4 <strong>HIV</strong>-1 protease inhibitor; T-4842-030 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@](Cc2ccccc2)([H])C(=O)NCC3CC CCC3 4279 C31H44N4O5 1,5-diphenyl-2,4-diaminopentan-3-ol deriv.; T-4324- 013 c1ccccc1C[C@]([H])(NC(=O)C(NC(=O)C)C(C)C)[C@@H](O)[C@@H](NC(=O)C(NC(=O)C) C(C)C)Cc2ccccc2 4280 C31H44N4O5 cyclic urea deriv.; T-4100-032 O[C@H]1[C@@H](Cc2ccccc2)N(CCN4CCOCC4)C(=O)N(CCN5CCOCC5)[C@H](Cc3ccccc 3)[C@@H]1O 4281 C31H44N8O2 piperidine deriv.; T-4694-027 C1CN(C)CCN1C(=O)Nc2cc3cc(nc3cc2)C(=O)N4CCC(CC4)N(CC)c5ncccc5NC(C)(C)C 4282 C31H44N8O2 piperidine deriv.; T-4694-029 C1CN(C)CCN1C(=O)Nc2cc3cc(nc3cc2)C(=O)N4CCC(CC4)N(CCC)c5ncccc5NC(C)C 4283 C31H45N5O5 CGP 53820 CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccccc2)NC(=O)[ C@H](C(C)C)NC(=O)C 149267-24-3 4284 C31H45N5O8 hydroxyethylhydrazine deriv.; T-4391-707 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(O)cc2)NC (=O)[C@@H](C(C)C)NC(=O)OC 4285 C31H46N2O3 cyclic urea deriv.; T-4100-022 O[C@H]1[C@@H](Cc2ccccc2)N(CCC(C)(C)C)C(=O)N(CCC(C)(C)C)[C@H](Cc3ccccc3)[C @@H]1O 4286 C31H46N2O3 cyclic urea deriv.; T-4100-019 O[C@H]1[C@@H](Cc2ccccc2)N(CCCC(C)C)C(=O)N(CCCC(C)C)[C@H](Cc3ccccc3)[C@@ H]1O 4287 C31H46N2O3 cyclic urea deriv.; T-4100-012 O[C@H]1[C@@H](Cc2ccccc2)N(CCCCCC)C(=O)N(CCCCCC)[C@H](Cc3ccccc3)[C@@H] 1O 4288 C31H46O8 phorbol deriv.; T-4227-120 O=C1C(C)=C[C@@]2([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)C)[C@@](OC(=O)CCCC CCCC)(C4(C)C)[C@]4([H])[C@]3([H])C=C(CO)C[C@]12O 4289 C31H48O3 triterpene deriv.; T-4344-016 CC1(C)C(=O)CC[C@]2(C)C3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C @]3(C)CC[C@@H]12 4290 C31H49NO3 triterpene acid / hemi ester deriv.; T-4229-004 CC1(C)/C(=N/O)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@ @]4(C)[C@]3(C)CC[C@@H]12 4291 C31H49N3O8SSi2 TSAO deriv.; T-4126-173 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)N(C)C3=O N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- [C@@H]1(O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C=C(C)C(= 4292 C31H50N2O7Si2 dione deriv.; T-4254-017 O)N(CC(=O)OCc3ccccc3)C2=O
N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- C1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C=C(C)C(=O) 4293 C31H50N2O7Si2 dione deriv.; T-4254-021 N(CC(=O)OCc3ccccc3)C2=O N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- [C@@H]1(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C= 4294 C31H50N2O8Si2 dione deriv.; T-4254-006 C(C)C(=O)N(CC(=O)OCc3ccccc3)C2=O N-3-benzoyloxymethyl / N-3-carboxymethyl pyrimid-2,4- [C@@H]1(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1N2C= 4295 C31H50N2O8Si2 dione deriv.; T-4254-005 C(C)C(=O)N(CC(=O)OCc3ccccc3)C2=O 4296 C31H50O3 betulinic acid methyl ester 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)OC)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4297 C31H50O3 ursolic acid methyl ester C1(C)(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[ C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4298 C31H50O3 oleanolic acid methyl ester C1(C)(C)[C@@H](O)CC[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O) OC)CC[C@@]4(C)[C@]3(C)CC[C@@]12([H]) 4299 C31H50O3 triterpene acid / hemi ester deriv.; T-4229-002 CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C @@]4(C)[C@]3(C)CC[C@@H]12 4300 C31H51NO2 triterpene acid / hemi ester deriv.; T-4229-006 CC1(C)[C@@H](N)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C @@]4(C)[C@]3(C)CC[C@@H]12 4301 C31H51NO2 triterpene acid / hemi ester deriv.; T-4229-008 CC1(C)[C@H](N)CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@ @]4(C)[C@]3(C)CC[C@@H]12 4302 C31H51N5O7 hydroxyethylhydrazine deriv.; T-4391-701 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC2CCCCC2)NC (=O)[C@@H](C(C)C)NC(=O)OC 4303 C31H51N5O7 hydroxyethylhydrazine deriv.; T-4391-712 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC2CCCCC2)NC(= O)[C@@H](C(C)C)NC(=O)OC 4304 C31H52N4O13SSi2 [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S),3-bis- (carboxy)propyl]carbamoyl]methyl]thymine]-3'-spiro-5''- (4''-amino-1'',2''-oxathiole-2'',2''-dioxide) [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](CCC(=O)O)C(=O)O [1-[2',5'-bis(-O-(tert-butyldimethylsilyl)-beta-D- ribofuranosyl]-3-N-[[N-[1-(S)- (carboxy)isobutyl]carbamoyl]methyl]thymine]-3'-spiro-5''-[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 4305 C31H54N4O11SSi2 (4''-amino-1'',2''-oxathiole-2'',2''-dioxide) )C(C)(C)C)N3C=C(C)C(=O)N(C3=O)CC(=O)N[C@H](C(C)C)C(=O)O 4306 C31H56N4O3 <strong>HIV</strong>-1 protease inhibitor; T-4842-045 CC(C)(C)NC(=O)[C@H]1C[C@]2([H])CCCC[C@]2([H])CN1C[C@H](O)CN4[C@H](C(=O)N C(C)(C)C)C[C@]5([H])CCCC[C@]5([H])C4 4307 C32H19BrO8 coumarin dimer deriv.; T-4230-063 OC1c2ccccc2OC(=O)C=1C(c3ccc(cc3)OC(=O)c6ccc(cc6)Br)C4=C(O)c5ccccc5OC4=O 4308 C32H19ClO8 coumarin dimer deriv.; T-4230-062 OC1c2ccccc2OC(=O)C=1C(c3ccc(cc3)OC(=O)c6ccc(cc6)Cl)C4=C(O)c5ccccc5OC4=O 4309 C32H20O6 3,3'-(2-fluorenomethylene)bis(4-hydroxycoumarin) c1cccc2OC(=O)C(=C(O)c12)C(C3=C(O)c4ccccc4OC3=O)c5cc6Cc7ccccc7c6cc5 4310 C32H20O8 coumarin dimer deriv.; T-4230-061 OC1c2ccccc2OC(=O)C=1C(c3ccc(cc3)OC(=O)c6ccccc6)C4=C(O)c5ccccc5OC4=O
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-
Page 7 and 8:
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: 4255 C31H39N5O7 4256 C31H39N5O8 1-[
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
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
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TerraTox - HIV-1 structure file, May 2004. Copyright ... - TerraBase Inc.

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