![KYZ KYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KYZ.svg) | KYZ | Name: | ~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | Formula: | C18 H18 N4 O5 S | SMILES: | CN[S](=O)(=O)c1ccc(OC)c(NC(=O)CC2=NNC(=O)c3ccccc23)c1 | InChi: | InChI=1S/C18H18N4O5S/c1-19-28(25,26)11-7-8-16(27-2)15(9-11)20-17(23)10-14-12-5-3-4-6-13(12)18(24)22-21-14/h3-9,19H,10H2,1-2H3,(H,20,23)(H,22,24) | Definition date: | 2019-07-05 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | ~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide |
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![L0T L0T](https://data.pdbj.org/pdbjplus/data/cc/svg/L0T.svg) | L0T | Name: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate | Formula: | C82 H44 N16 O34 S8 | SMILES: | CC(=O)Nc1cccc2c(cc(nc12)C(=O)Nc3cccc4c(cc(nc34)C(=O)Nc5cccc6c(cc(nc56)C(=O)Nc7cccc8c(cc(nc78)C(=O)Nc9cccc%10c(cc(nc9%10)C(=O)Nc%11cccc%12c(cc(nc%11%12)C(=O)Nc%13cccc%14c(cc(nc%13%14)C(=O)Nc%15cccc%16c(cc(nc%15%16)C(O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O | InChi: | InChI=1S/C82H52N16O34S8/c1-34(99)83-43-18-2-10-35-59(133(109,110)111)26-51(84-67(35)43)75(100)92-44-19-3-11-36-60(134(112,113)114)27-52(85-68(36)44)76(101)93-45-20-4-12-37-61(135(115,116)117)28-53(86-69(37)45)77(102)94-46-21-5-13-38-62(136(118,119)120)29-54(87-70(38)46)78(103)95-47-22-6-14-39-63(137(121,122)123)30-55(88-71(39)47)79(104)96-48-23-7-15-40-64(138(124,125)126)31-56(89-72(40)48)80(105)97-49-24-8-16-41-65(139(127,128)129)32-57(90-73(41)49)81(106)98-50-25-9-17-42-66(140(130,131)132)33-58(82(107)108)91-74(42)50/h2-33H,1H3,(H,83,99)(H,92,100)(H,93,101)(H,94,102)(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)/p-8 | Definition date: | 2019-07-11 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate |
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![L0W L0W](https://data.pdbj.org/pdbjplus/data/cc/svg/L0W.svg) | L0W | Name: | lipopolysaccharide fragment | Formula: | C95 H182 N2 O25 P2 | SMILES: | CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O)[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C[CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C95H182N2O25P2/c1-8-14-20-26-32-38-39-45-51-57-63-69-88(104)117-81(67-61-55-49-43-36-30-24-18-12-5)73-90(106)120-93-91(97-86(102)72-80(66-60-54-48-42-35-29-23-17-11-4)116-87(103)68-62-56-50-44-37-31-25-19-13-6)95(119-84(77-113-7)92(93)121-123(107,108)109)115-75-82(74-98)118-94(122-124(110,111)112)83(96-85(101)70-78(99)64-58-52-46-40-33-27-21-15-9-2)76-114-89(105)71-79(100)65-59-53-47-41-34-28-22-16-10-3/h78-84,91-95,98-100H,8-77H2,1-7H3,(H,96,101)(H,97,102)(H2,107,108,109)(H2,110,111,112)/t78-,79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-/m1/s1 | Definition date: | 2019-07-11 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | [(2~{R},3~{R})-3-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(methoxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxy-3-oxidanyl-propan-2-yl]oxy-2-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-propyl] (3~{R})-3-oxidanyltetradecanoate |
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![L8J L8J](https://data.pdbj.org/pdbjplus/data/cc/svg/L8J.svg) | L8J | Name: | [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid | Formula: | C10 H8 Br2 N O4 P | SMILES: | c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br | InChi: | InChI=1S/C10H8Br2NO4P/c11-6-2-7(12)10-5(4-18(15,16)17)1-9(14)13-8(10)3-6/h1-3H,4H2,(H,13,14)(H2,15,16,17) | Definition date: | 2019-02-12 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
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![JUY JUY](https://data.pdbj.org/pdbjplus/data/cc/svg/JUY.svg) | JUY | Name: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid | Formula: | C25 H25 N5 O4 S | SMILES: | C(C(NCCC(C(=O)O)NC(c2sc1c(cccc1)n2)=O)=O)CCCc3ccc4c(n3)nccc4 | InChi: | InChI=1S/C25H25N5O4S/c31-21(10-4-1-7-17-12-11-16-6-5-14-27-22(16)28-17)26-15-13-19(25(33)34)29-23(32)24-30-18-8-2-3-9-20(18)35-24/h2-3,5-6,8-9,11-12,14,19H,1,4,7,10,13,15H2,(H,26,31)(H,29,32)(H,33,34)/t19-/m0/s1 | Definition date: | 2018-09-25 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid |
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![M7D M7D](https://data.pdbj.org/pdbjplus/data/cc/svg/M7D.svg) | M7D | Name: | N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | Formula: | C21 H17 F N6 O | SMILES: | C(#N)c1cnc(cc1)C(Nc2cc(c(F)cc2)C4(N=C(c3cccn3C4)N)C)=O | InChi: | InChI=1S/C21H17FN6O/c1-21(12-28-8-2-3-18(28)19(24)27-21)15-9-14(5-6-16(15)22)26-20(29)17-7-4-13(10-23)11-25-17/h2-9,11H,12H2,1H3,(H2,24,27)(H,26,29)/t21-/m0/s1 | Definition date: | 2019-03-26 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide |
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![LH2 LH2](https://data.pdbj.org/pdbjplus/data/cc/svg/LH2.svg) | LH2 | Name: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide | Formula: | C16 H18 B N3 O2 | SMILES: | NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1 | InChi: | InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1 | Definition date: | 2019-08-15 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide |
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![LH5 LH5](https://data.pdbj.org/pdbjplus/data/cc/svg/LH5.svg) | LH5 | Name: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | Formula: | C21 H20 B N3 O3 | SMILES: | NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3 | InChi: | InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m0/s1 | Definition date: | 2019-08-15 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
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![LH8 LH8](https://data.pdbj.org/pdbjplus/data/cc/svg/LH8.svg) | LH8 | Name: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide | Formula: | C15 H15 B N2 O2 | SMILES: | NC(=N)c1ccc(cc1)[CH]2Cc3ccccc3B(O)O2 | InChi: | InChI=1S/C15H15BN2O2/c17-15(18)11-7-5-10(6-8-11)14-9-12-3-1-2-4-13(12)16(19)20-14/h1-8,14,19H,9H2,(H3,17,18)/t14-/m0/s1 | Definition date: | 2019-08-15 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide |
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![MWJ MWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/MWJ.svg) | MWJ | Name: | 4-bromo-2-methylphenol | Formula: | C7 H7 Br O | SMILES: | c1cc(cc(C)c1O)Br | InChi: | InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 | Definition date: | 2019-04-23 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 4-bromo-2-methylphenol |
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![N0D N0D](https://data.pdbj.org/pdbjplus/data/cc/svg/N0D.svg) | N0D | Name: | 2,4-dimethylphenol | Formula: | C8 H10 O | SMILES: | Cc1cc(C)ccc1O | InChi: | InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 | Definition date: | 2019-04-26 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 2,4-dimethylphenol |
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![RH5 RH5](https://data.pdbj.org/pdbjplus/data/cc/svg/RH5.svg) | RH5 | Name: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | Formula: | C21 H20 B N3 O3 | SMILES: | NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3 | InChi: | InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m1/s1 | Definition date: | 2019-08-16 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
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![9KX 9KX](https://data.pdbj.org/pdbjplus/data/cc/svg/9KX.svg) | 9KX | Name: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one | Formula: | C27 H38 O3 | SMILES: | OC1CC(/CC(C/1=C)O)=C/C=C3/C2C(C(CC2)C(C)C(=O)C=C[C@H]=CC)(CCC3)C | InChi: | InChI=1S/C27H38O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-7,10-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,10-7+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1 | Definition date: | 2018-05-22 | Last modified: | 2019-09-17 | Release date: | 2018-07-18 | Identifier: | (2S,4E,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]octa-4,6-dien-3-one |
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![XCO XCO](https://data.pdbj.org/pdbjplus/data/cc/svg/XCO.svg) | XCO | Name: | Co-substituted beta-Keggin | Formula: | Co O39 Si W11 | SMILES: | O.O=[W]1234O[Co]567O[W]89(O1)O[W]%10%11(=O)(O2)O[W]%12%13%14(=O)O[W]%15%16(=O)(O8)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21%22(=O)(O3)O[W]%23%24(=O)(O%19)O[W](=O)(O%17)(O%15)(O%12)[O]%16%18[Si]([O]479)([O]%20%21%23)[O]%10%13[W](=O)(O%11)(O%22)(O%24)O%14 | InChi: | InChI=1S/Co.O4Si.H2O.34O.11W/c | Definition date: | 2019-06-03 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 |
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![XCU XCU](https://data.pdbj.org/pdbjplus/data/cc/svg/XCU.svg) | XCU | Name: | Cu-substituted alpha-Keggin | Formula: | Cu O39 P W11 | SMILES: | O=[W]123O[Cu]45O[W]67(=O)O[W]89(=O)(O1)O[W]%10%11(=O)(O6)O[W]%12%13%14(=O)O[W]%15(=O)(O4)(O7)O[W]%16%17(=O)(O[W]%18(=O)(O5)(O[P](=[O]8%10)([O]%12%15%16)[O]%19%20[W]%21(=O)(O2)(O9)O[W]%19(=O)(O%18)(O%17)O[W]%20(=O)(O%11)(O%21)O%13)O3)O%14 | InChi: | InChI=1S/Cu.O4P.35O.11W/c | Definition date: | 2019-05-28 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 |
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![WNI WNI](https://data.pdbj.org/pdbjplus/data/cc/svg/WNI.svg) | WNI | Name: | Ni-substituted alpha-Keggin | Formula: | Ni O39 P W11 | SMILES: | O=[W]123O[Ni]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16 | InChi: | InChI=1S/Ni.O4P.35O.11W/c | Definition date: | 2019-05-28 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 |
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![WCO WCO](https://data.pdbj.org/pdbjplus/data/cc/svg/WCO.svg) | WCO | Name: | Co-substituted alpha-Keggin | Formula: | Co O39 P W11 | SMILES: | O=[W]123O[Co]456O[W]789(=O)O[W]%10%11(=O)(O1)O[W]%12%13(=O)(O2)O[W]%14%15%16(=O)O[W]%17(=O)(O4)(O3)O[W]%18%19(=O)(O[W]%20(=O)(O5)(O7)O[W]%21%22(=O)(O[W]%23(=O)(O%10)(O8)O[W](=O)(O%12)(O%14)(O%21)[O]%22%23[P](=[O]%11%13)([O]69%20)[O]%15%17%18)O%19)O%16 | InChi: | InChI=1S/Co.O4P.35O.11W/c | Definition date: | 2019-05-28 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 |
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![G4E G4E](https://data.pdbj.org/pdbjplus/data/cc/svg/G4E.svg) | G4E | Name: | ~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine | Formula: | C21 H19 N5 O | SMILES: | Cc1cccc(Nc2[nH]c(nn2)c3ccc(Oc4ccncc4)cc3)c1C | InChi: | InChI=1S/C21H19N5O/c1-14-4-3-5-19(15(14)2)23-21-24-20(25-26-21)16-6-8-17(9-7-16)27-18-10-12-22-13-11-18/h3-13H,1-2H3,(H2,23,24,25,26) | Definition date: | 2018-08-24 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | ~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine |
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![9X9 9X9](https://data.pdbj.org/pdbjplus/data/cc/svg/9X9.svg) | 9X9 | Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide | Formula: | C11 H13 N9 O2 | SMILES: | COc1ncc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N | InChi: | InChI=1S/C11H13N9O2/c1-22-11-16-2-4(3-17-11)5-7(12)19-8(13)6(18-5)9(21)20-10(14)15/h2-3H,1H3,(H4,12,13,19)(H4,14,15,20,21) | Definition date: | 2018-08-22 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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![9XC 9XC](https://data.pdbj.org/pdbjplus/data/cc/svg/9XC.svg) | 9XC | Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | Formula: | C12 H15 N9 O3 | SMILES: | COc1ncc(c(OC)n1)c2nc(c(N)nc2N)C(=O)NC(N)=N | InChi: | InChI=1S/C12H15N9O3/c1-23-10-4(3-17-12(21-10)24-2)5-7(13)19-8(14)6(18-5)9(22)20-11(15)16/h3H,1-2H3,(H4,13,14,19)(H4,15,16,20,22) | Definition date: | 2018-08-22 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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![9XF 9XF](https://data.pdbj.org/pdbjplus/data/cc/svg/9XF.svg) | 9XF | Name: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide | Formula: | C14 H13 N7 O2 | SMILES: | NC(=N)NC(=O)c1nc(c(N)nc1N)c2oc3ccccc3c2 | InChi: | InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22) | Definition date: | 2018-08-22 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide |
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![T14 T14](https://data.pdbj.org/pdbjplus/data/cc/svg/T14.svg) | T14 | Name: | 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene | Formula: | C23 H19 F6 N3 O | SMILES: | C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F | InChi: | InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31) | Definition date: | 2019-03-08 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene |
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![BO0 BO0](https://data.pdbj.org/pdbjplus/data/cc/svg/BO0.svg) | BO0 | Name: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol | Formula: | C7 H12 O4 | SMILES: | OC[CH]1C[CH]2O[CH]2[CH](O)[CH]1O | InChi: | InChI=1S/C7H12O4/c8-2-3-1-4-7(11-4)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6+,7-/m1/s1 | Definition date: | 2018-03-06 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol |
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![GSR GSR](https://data.pdbj.org/pdbjplus/data/cc/svg/GSR.svg) | GSR | Name: | 2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE | Formula: | C18 H22 N5 O8 P | SMILES: | O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O | InChi: | InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12-,13+,14+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2019-09-13 | Identifier: | 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate) |
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![GSS GSS](https://data.pdbj.org/pdbjplus/data/cc/svg/GSS.svg) | GSS | Name: | 2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE | Formula: | C18 H22 N5 O8 P | SMILES: | O=C2c3ncn(c3N=C(NC(c1ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O | InChi: | InChI=1S/C18H22N5O8P/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(26)22-18)19-9-23(16)14-6-12(25)13(31-14)8-30-32(27,28)29/h1-5,9,11-14,24-25H,6-8H2,(H2,27,28,29)(H2,20,21,22,26)/t11-,12+,13-,14-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2019-09-13 | Identifier: | 2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate) |
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