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

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4432 C33H34N2O3 cyclic urea deriv.; T-4100-064 [C@@]1([H])(O)[C@@H](Cc2ccccc2)N(Cc4ccc5ccccc5c4)C(=O)N(CC=C)[C@H](Cc3ccccc 3)[C@@H]1O 4433 C33H34N2O3 cyclic urea deriv.; T-4423-105 C1[C@@H](Cc2ccccc2)N(Cc4cc(O)ccc4)C(=O)N(Cc4cc(O)ccc4)[C@@H]1CCc3ccccc3 4434 C33H34N2O3 cyclic urea/diaminosulfone deriv.; T-4269-002 c1ccccc1CN2C(=O)N(Cc3ccccc3)[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@H]2Cc5cccc c5 4435 C33H34N2O3 cyclic urea deriv.; T-4100-033 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4ccccc4)C(=O)N(Cc5ccccc5)[C@H](Cc3ccccc3)[C@@ H]1O 4436 C33H34N2O4 cyclic urea deriv.; T-4423-077 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4cc(O)ccc4)C(=O)N(Cc4cc(O)ccc4)[C@@H]1CCc3ccc cc3 4437 C33H34N2O5 AHA-001 c1ccccc1OC[C@H]2N(Cc3ccccc3)C(=O)N(Cc4ccccc4)[C@H](COc5ccccc5)[C@H](O)[C@H ]2O 4438 C33H34N2O5 cyclic urea deriv.; T-4429-010 O[C@H]1[C@@H](Cc2ccccc2)N(Cc3cc(O)ccc3)C(=O)N(Cc2cc(O)ccc2)[C@H](Cc3ccccc3)[ C@@H]1O 4439 C33H34N2O5 cyclic urea deriv.; T-4100-058 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4ccc(O)cc4)C(=O)N(Cc4ccc(O)cc4)[C@H](Cc3ccccc3)[ C@@H]1O 4440 C33H34N2O5 cyclic urea deriv.; T-4100-059 O[C@H]1[C@@H](Cc2ccccc2)N(Cc4cccc(O)c4)C(=O)N(Cc4cccc(O)c4)[C@H](Cc3ccccc3)[ C@@H]1O 4441 C33H34N2O5 cyclic urea deriv.; T-4409-001 O[C@H]1[C@@H](COc2ccccc2)N(Cc3ccccc3)C(=O)N(Cc3ccccc3)[C@H](COc3ccccc3)[C @@H]1O 4442 C33H34N2O7 cyclic urea/diaminosulfone deriv.; T-4269-007 c1cc(CO)ccc1CN2C(=O)N(Cc3ccc(CO)cc3)[C@H](Oc4ccccc4)[C@H](O)[C@@H](O)[C@H ]2Oc5ccccc5 4443 C33H35F5N2O5 pseudo peptide, T-4330-033 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc4c(F)c(F)c(F)c(F)c4F)C( =O)N[C@]2([H])[C@H](O)Cc3ccccc23 bis(alpha-(R/S)-methoxycarbonyl-4-acetoxybenzyl)-2,3'- c1cc(OC(=O)C)ccc1C(CC(=O)C)OP(OC(CC(=O)C)c2ccc(OC(=O)C)cc2)(=O)O[C@@H]3C= 4444 C33H35N2O13P dideoxy-2,3'-didehydrothymidine monophosphate C[C@@H](O3)N4C(=O)NC(=O)C(C)=C4 4445 C33H36Cl2N4O6 biliverdin dihydrochloride C=CC1=C(C)C(=O)[N+]C1=Cc2c(C)c(CCC(=O)O)c(n2)/C=C3/C(CCC(=O)O)=C(C)C(=N3)C =C4[N+]C(=O)C(C=C)=C4C.[Cl-].[Cl-] 55482-27-4 4446 C33H36N2O3 cyclic urea deriv.; T-4100-062 [C@@]1([H])(O)[C@@H](Cc2ccccc2)N(Cc4ccc5ccccc5c4)C(=O)N(CCC)[C@H](Cc3ccccc3 )[C@@H]1O 4447 C33H36N2O7 HIV-1 protease inhibitor; T-4842-039 C1OCCC1OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)/C=C(Cc5ccccc5)\C(=O)N[C@@H ]2[C@H](O)Cc3ccccc23 4448 C33H36N4O2 (R,R,R)-cyclic urea deriv.; T-4429-025 O[C@H]1[C@@H](Cc2ccccc2)N(Cc3cc(N)ccc3)C(=O)N(Cc2cc(N)ccc2)[C@@H]1CCc3ccc cc3 4449 C33H36N4O3 Mozenavir; DMP-450 c1ccccc1C[C@@]2([H])(N(Cc3cc(N)ccc3)C(=O)N(Cc4cc(N)ccc4)[C@H](Cc5ccccc5)[C@H]( O)[C@]2(O)[H] 174391-92-5 4450 C33H36N4O6 bilirubin C=CC1=C(C)C(=O)NC1=Cc2c(C)c(CCC(=O)O)c(n2)Cc3c(CCC(=O)O)c(C)c(n3)C=C4NC(= O)C(C=C)=C4C 635-65-4 N(C(=O)/C=C/c2ccc(O)cc2)CCN(CCN(C(=O)/C=C/c2ccc(O)cc2))CCNC(=O)/C=C/c2ccc(O)c 4451 C33H36N4O6 N,N',N''-tricoumaroyl-tri(2-aminoethyl)amine c2
4452 C33H37Cl2N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-417 C1N(Cc5ccccc5)C(=O)CC1C(=O)N(c2cc(Cl)c(Cl)cc2)CCCN3CCC(CC3)Cc4ccccc4 4453 C33H37IN2O3 TAK-779 derivative; T-4053-010 c1cc(C)ccc1c2ccc3OCCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+](C)(C)C5CCC(=O)CC5.[I-] 4454 C33H38BrN3O2 4-[(Z)-(4-bromophenyl)(phenoxyimino)methyl]-1'-(2,6- dimethylbenzoyl)-4'-methyl-1,4'-bipiperidine c1cc(Br)ccc1/C(=N\Oc5ccccc5)C2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C 4455 C33H38ClN3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-406 C1N(Cc5c(Cl)cccc5)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)Cc4ccccc4 4456 C33H38ClN3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-407 C1N(Cc5cc(Cl)ccc5)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)Cc4ccccc4 4457 C33H38ClN3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-408 C1N(Cc5ccc(Cl)cc5)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)Cc4ccccc4 4458 C33H38ClN3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-416 C1N(Cc5ccccc5)C(=O)CC1C(=O)N(c2cc(Cl)ccc2)CCCN3CCC(CC3)Cc4ccccc4 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)/C=C(Cc5ccccc5)\C(=O)N[C@@H] 4459 C33H38N2O6 HIV-1 protease inhibitor; T-4842-038 2[C@H](O)Cc3ccccc23 4460 C33H39ClN2O2 TAK-779 derivative; T-4053-014 c1cc(C)ccc1c2ccc3CCCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+](C)(C)C5CCOCC5.[Cl-] 4461 C33H39FN2O5 pseudo peptide, T-4330-026 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc4ccc(F)cc4)C(=O)N[C@] 2([H])[C@H](O)Cc3ccccc23 4462 C33H39IN2O2 TAK-779 derivative; T-4053-019 c1cc(C)ccc1c2ccc3CCCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+](C)(C)C5CCOCC5.[I-] 4463 C33H39IN2O4 TAK-779 c1cc(OCC)ccc1c2ccc3OCCC(=Cc3c2)C(=O)Nc4ccc(cc4)C[N+](C)(C)C5CCOCC5.[I-] 4464 C33H39IN2O5 pseudo peptide, T-4330-027 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc4ccc(I)cc4)C(=O)N[C@] 2([H])[C@H](O)Cc3ccccc23 4465 C33H39IN2O5 HIV-1 protease inhibitor; T-4842-014 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@](Cc4ccc(I)cc4)([H])C(=O)N[C@ @H]2[C@H](O)[C@H]([H])c3ccccc23 4466 C33H39N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-210 C1N(C)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)C(c4ccccc4)c5ccccc5 4467 C33H39N3O2 5-oxopyrrolidine-3-carboxamide deriv.; T-4823-405 C1N(Cc5ccccc5)C(=O)CC1C(=O)N(c2ccccc2)CCCN3CCC(CC3)Cc4ccccc4 4468 C33H39N3O7 pseudo peptide, T-4330-028 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc4ccc(N(=O)=O)cc4)C(=O )N[C@]2([H])[C@H](O)Cc3ccccc23 4469 C33H39N5O7 AHPBA analogue; T-4457-069 c1c(cccc2)c2ncc1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O) N2CCC[C@H]2C(=O)OC(C)(C)C 4470 C33H39N5O7 AHPBA analogue; T-4457-066 c1cc(cccc2)c2nc1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O) N2CCC[C@H]2C(=O)OC(C)(C)C 4471 C33H40ClN5O8 3-amino-2-hydroxy-4-phenylbutanoic acid deriv.; T- 4441-044 o1c2c(OC)cccc2cc1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(= O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C 4472 C33H40N2O 4-[(1,1'-biphenyl)methyl]-1'-(2,6-dimethylbenzyl)-4'- methyl-1,4'-bipiperidine c1cc(c5ccccc5)ccc1CC2CCN(CC2)C3(C)CCN(CC3)C(=O)c4c(C)cccc4C
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 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: 4411 C33H22O8 3,3'-(4-stilbenomethy
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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