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

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1585 C15H16Cl2N2OS pyrimidin-4-ol derivative; T-4060-022 n1c(S(C(C)CC))nc(O)cc1Cc2c(Cl)cccc2Cl 1586 C15H16Cl2N2OS pyrimidin-4-ol derivative; T-4060-021 n1c(S(CC(C)C))nc(O)cc1Cc2c(Cl)cccc2Cl 1587 C15H16Cl2N2OS pyrimidin-4-ol derivative; T-4060-020 n1c(S(CCCC))nc(O)cc1Cc2c(Cl)cccc2Cl 1588 C15H16F2N2O 2-(alkylthio)-pyrimidin-4-ol deriv.; T-4135-204 CC(C)c1nc(O)c(C)c(n1)Cc2c(F)cccc2F 1589 C15H16F2N2O 2-(alkylthio)-pyrimidin-4-ol deriv.; T-4135-312 CC(C)c1nc(O)cc(n1)C(C)c2c(F)cccc2F 1590 C15H16F2N2O 2-(alkylthio)-pyrimidin-4-ol deriv.; T-4135-202 CCC(C)c1nc(O)cc(n1)Cc2c(F)cccc2F 1591 C15H16F2N2OS pyrimidin-4-ol derivative; T-4060-040 n1c(S(C(C)C))nc(O)c(C)c1Cc2c(F)cccc2F 1592 C15H16F2N2OS pyrimidin-4-ol derivative; T-4060-029 n1c(S(C(C)CC))nc(O)cc1Cc2c(F)cccc2F 1593 C15H16F2N2OS pyrimidin-4-ol derivative; T-4060-028 n1c(S(CC(C)C))nc(O)cc1Cc2c(F)cccc2F 1594 C15H16F2N2OS pyrimidin-4-ol derivative; T-4060-027 n1c(S(CCCC))nc(O)cc1Cc2c(F)cccc2F 1595 C15H16N2O3S 1-(carbonyl/thiocarbonyl)anilide deriv.; T-4141-282 Cc1occc1C(=S)Nc2ccc(OC)c(c2)/C=N/OC 1596 C15H16N2O3S2 1,1,3-trioxo-2H,4H-thieno[3,4-e][1,2,4]-diazine deriv.; T- 4837-605 c1scc2S(=O)(=O)N(Cc3ccccc3)C(=O)N(CCC)c12 1597 C15H16N2O3S2 1,1,3-trioxo-2H,4H-hetero[1,2,4]thiadiazine deriv.; T- 4696-018 c1scc2S(=O)(=O)N(CCc3ccccc3)C(=O)N(CC)c12 1598 C15H16N2O3S2 1,1,3-trioxo-2H,4H-hetero[1,2,4]thiadiazine deriv.; T- 4696-027 s1ccc2S(=O)(=O)N(Cc3ccccc3)C(=O)N(CCC)c12 1599 C15H16N2O4 1-(carbonyl/thiocarbonyl)anilide deriv.; T-4141-281 Cc1occc1C(=O)Nc2ccc(OC)c(c2)/C=N/OC 1600 C15H16N2O4 Emivirine deriv.; T-4487-002 CCOCN1C(=O)NC(=O)C(C=O)=C1Cc2ccccc2 1601 C15H16N2O4S HEPT analogue; T-3988-055 OCCOCN1C(=O)NC(=O)C(C=C)=C1Sc2ccccc2 1602 C15H16N2O5 HEPT analogue; T-3988-025 OCCOCN1C(=O)NC(=O)C(C)=C1C(=O)c2ccccc2 1603 C15H16N2O6S HEPT analogue; T-3984-043 OCCOCN1C(=O)NC(=O)C(C(=O)OC)=C1Sc2ccccc2 137897-81-5 1604 C15H16N2O6S HEPT analogue; T-3984-037 OCCOCN1C(=O)NC(=O)C(C)=C1Sc2cccc(c2)C(=O)O 137897-77-9 1605 C15H16N2OS 2-(alkylthio)-pyrimidin-4-ol deriv.; T-4130-042 C3CCCC3Sc1nc(O)cc(n1)c2ccccc2 1606 C15H16N2OS pyrimidine deriv.; T-4693-713 n1c(SCC=C)nc(O)cc1Cc2cccc(C)c2 1607 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1c(C)c(C)cc2NC(=O)c3cccnc3N(CC)c12 133627-26-6 1608 C15H16N4O dipyridodiazepinone deriv.; T-4168-005 n1c(C)cc(C)c2NC(=O)c3cccnc3N(c12)CC 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1c(C)ccc2N(C)C(=O)c3cccnc3N(CC)c12 133627-11-9 1609 C15H16N4O 1610 C15H16N4O 1611 C15H16N4O 1612 C15H16N4O 1613 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1cc(C)cc2N(C)C(=O)c3cccnc3N(CC)c12 133627-13-1 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1ccc(C)c2N(C)C(=O)c3cccnc3N(CC)c12 133627-18-6 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1ccc(CC)c2NC(=O)c3cccnc3N(CC)c12 133627-21-1 6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one deriv. n1cccc2C(=O)N(C)c3ccc(N)cc3N(CC)c12 132687-07-1
1614 C15H16N4O dipyridodiazepinone deriv.; T-4686-003 n1cccc2N(C)C(=O)c3cc(C)cnc3N(CC)c12 1615 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1cccc2N(C)C(=O)c3ccc(C)nc3N(CC)c12 133627-34-6 1616 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1cccc2N(C)C(=O)c3cccnc3N(CCC)c12 132312-81-3 1617 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1cccc2NC(=O)c3cccnc3[N@@](CCCC)c12 133627-06-2 1618 C15H16N4O 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6- one deriv. n1cccc2NC(=O)c3cccnc3[N@](CCCC)c12 133627-05-1 1619 C15H16N4O2 pyridin-2-ol deriv.; T-4044-309 c2cccc3nc(nc23)CNc1c(O)nc(O)c(CC)c1 1620 C15H16N4O2 dipyridodiazepinone deriv.; T-4168-036 n1c(OC)ccc2N(C)C(=O)c3cccnc3N(c12)CC 1621 C15H16N4O2 dipyridodiazepinone deriv.; T-4686-008 n1cccc2N(C)C(=O)c3cc(CO)cnc3N(CC)c12 1622 C15H16N4O4 CNI-H3094 c1c(C(=O)OC)cc(C(=O)OC)cc1Nc2cc(C)nc(N)n2 1623 C15H16N4OS dipyridodiazepinone deriv.; T-4168-038 n1c(SC)cc(C)c2NC(=O)c3cccnc3N(c12)CC 1624 C15H16N5O6P cyclo-saligenyl-Acyclovir-monophosphate c1cccc2COP(Oc12)(=O)OCCOCn3cnc4c(O)nc(N)nc34 1625 C15H16N6O2 dipyridodiazepinone deriv.; T-4686-006 n1cccc2N(C)C(=O)c3cc(NC(=O)N)cnc3N(CC)c12 1626 C15H16O5 isoobtusitin C/C(C)=C/COc1c(OC)c(O)c2C=CC(=O)Oc2c1 1627 C15H17BrN2OS pyrimidin-4-ol deriv.; T-4195-528 n1c(SC(C)CC)nc(O)c(Br)c1Cc2ccccc2 1628 C15H17ClN2O pyrid-2-ol deriv.; T-4697-033 Oc1nc(C)c(CC)cc1NCc2c(Cl)cccc2 2,2-dioxide-1,3-H-2,1,3-benzothiadiazine deriv.; T- 4836-006 c1cc(Cl)cc2C(C(C)C)(C#CC3CC3)NS(=O)(=O)Nc12 1629 C15H17ClN2O2S 1630 C15H17ClN2O2S 2,2-dioxide-1,3-H-2,1,3-benzothiadiazine deriv.; T- 4836-002 c1cc(Cl)cc2C(C3CC3)(C#CC(C)C)NS(=O)(=O)Nc12 1631 C15H17ClN2O2S ML9; 1-naphthylsulfonamide deriv.; T-4647-003 c1ccc(Cl)c2cccc(c12)S(=O)(=O)N3CCNCCC3 1632 C15H17ClN2OS pyrimidin-4-ol derivative; T-4060-001 n1c(S(C(C)CC))nc(O)cc1Cc2c(Cl)cccc2 1633 C15H17ClN2OS pyrimidin-4-ol derivative; T-4060-002 n1c(S(C(C)CC))nc(O)cc1Cc2cc(Cl)ccc2 1634 C15H17ClN2OS pyrimidin-4-ol derivative; T-4060-003 n1c(S(C(C)CC))nc(O)cc1Cc2ccc(Cl)cc2 1635 C15H17ClN2OS pyrimidin-4-ol deriv.; T-4195-529 n1c(SC(C)CC)nc(O)c(Cl)c1Cc2ccccc2 4-(2,6-dichlorophenyl)-1,2,5-thiadiazo-3-yl deriv.; T- 4153-008 Clc1cccc(Cl)c1c2nsnc2OC(=O)N(CC)CCCC 1636 C15H17Cl2N3O2S 1637 C15H17FN2O pyrid-2-ol deriv.; T-4697-032 Oc1nc(C)c(CC)cc1NCc2c(F)cccc2 1638 C15H17FN2OS pyrimidin-4-ol derivative; T-4060-004 n1c(S(C(C)CC))nc(O)cc1Cc2c(F)cccc2 1639 C15H17FN2OS pyrimidin-4-ol derivative; T-4060-005 n1c(S(C(C)CC))nc(O)cc1Cc2cc(F)ccc2 1640 C15H17FN2OS pyrimidin-4-ol derivative; T-4060-006 n1c(S(C(C)CC))nc(O)cc1Cc2ccc(F)cc2 1641 C15H17IN2OS pyrimidin-4-ol deriv.; T-4195-527 n1c(SC(C)CC)nc(O)c(I)c1Cc2ccccc2 cyclohexa-3-en-2-one, 5,5-dimethyl-1- phenylaminocarbonyl c2ccccc2NC(=O)C1C(=O)C=CC(C)(C)C1 1642 C15H17NO2
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: 1558 C15H15N3O 5,11-dihydro-6H-pyri
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 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:
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:
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
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