![C86 C86](https://data.pdbj.org/pdbjplus/data/cc/svg/C86.svg) | C86 | Name: | N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | Formula: | C18 H16 F5 N5 O2 S | SMILES: | C[C]1(C[CH](SC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F | InChi: | InChI=1S/C18H16F5N5O2S/c1-17(5-13(18(21,22)23)31-16(24)28-17)10-4-9(2-3-11(10)20)27-15(29)12-6-26-14(7-25-12)30-8-19/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1 | Definition date: | 2019-04-12 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | ~{N}-[3-[(4~{S},6~{S})-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
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![QJA QJA](https://data.pdbj.org/pdbjplus/data/cc/svg/QJA.svg) | QJA | Name: | 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one | Formula: | C11 H13 N O S2 | SMILES: | CC(N1C=CSC(CC1)c2sccc2)=O | InChi: | InChI=1S/C11H13NOS2/c1-9(13)12-5-4-11(15-8-6-12)10-3-2-7-14-10/h2-3,6-8,11H,4-5H2,1H3/t11-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one |
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![B5C B5C](https://data.pdbj.org/pdbjplus/data/cc/svg/B5C.svg) | B5C | Name: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate | Formula: | C9 H6 O4 S | SMILES: | C2(Sc1cc(OC(C)=O)ccc1O2)=O | InChi: | InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3 | Definition date: | 2019-01-15 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate |
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![OD4 OD4](https://data.pdbj.org/pdbjplus/data/cc/svg/OD4.svg) | OD4 | Name: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid | Formula: | C17 H16 N2 O3 S2 | SMILES: | C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3)(NCCCN)=O | InChi: | InChI=1S/C17H16N2O3S2/c18-7-2-8-19-16(20)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)17(21)22/h1,3-6,9H,2,7-8,18H2,(H,19,20)(H,21,22) | Definition date: | 2019-06-20 | Last modified: | 2019-12-11 | Release date: | 2019-07-24 | Identifier: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid |
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![LFE LFE](https://data.pdbj.org/pdbjplus/data/cc/svg/LFE.svg) | LFE | Name: | ~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide | Formula: | C54 H70 Cl N9 O11 S2 | SMILES: | Cc1sc2n3c(C)nnc3[CH](CC(=O)N[CH]4COCCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7scnc7C)C(C)(C)C)N[CH](c8ccc(Cl)cc8)c2c1C | InChi: | InChI=1S/C54H70ClN9O11S2/c1-31-33(3)77-53-46(31)47(35-10-12-38(55)13-11-35)59-41(50-62-61-34(4)64(50)53)24-44(66)58-39-27-72-17-14-70-16-19-74-29-45(67)60-49(54(5,6)7)52(69)63-26-40(65)23-42(63)51(68)56-25-37-9-8-36(48-32(2)57-30-76-48)22-43(37)75-21-20-71-15-18-73-28-39/h8-13,22,30,39-42,47,49,59,65H,14-21,23-29H2,1-7H3,(H,56,68)(H,58,66)(H,60,67)/t39-,40+,41-,42-,47-,49+/m0/s1 | Definition date: | 2019-08-12 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | ~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide |
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![KUY KUY](https://data.pdbj.org/pdbjplus/data/cc/svg/KUY.svg) | KUY | Name: | 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide | Formula: | C20 H23 F2 N7 O S | SMILES: | n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N)C | InChi: | InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m0/s1 | Definition date: | 2019-01-17 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide |
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![M2V M2V](https://data.pdbj.org/pdbjplus/data/cc/svg/M2V.svg) | M2V | Name: | [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Formula: | C21 H19 Cl N3 O3 P S | SMILES: | c3(c2c(sc(c1cc(Cl)c(cc1)C)c2)ncn3)NC(P(O)(O)=O)Cc4ccccc4 | InChi: | InChI=1S/C21H19ClN3O3PS/c1-13-7-8-15(10-17(13)22)18-11-16-20(23-12-24-21(16)30-18)25-19(29(26,27)28)9-14-5-3-2-4-6-14/h2-8,10-12,19H,9H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1 | Definition date: | 2019-03-19 | Last modified: | 2019-11-01 | Release date: | 2019-11-06 | Identifier: | [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid |
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![P6J P6J](https://data.pdbj.org/pdbjplus/data/cc/svg/P6J.svg) | P6J | Name: | N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide | Formula: | C22 H21 F2 N5 O3 S | SMILES: | COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C | InChi: | InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 | Definition date: | 2019-08-01 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide |
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![GKH GKH](https://data.pdbj.org/pdbjplus/data/cc/svg/GKH.svg) | GKH | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate | Formula: | C23 H20 N8 O8 S3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4csc(C=Cc5sc6cc(O)ccc6n5)n4)[CH](O)[CH]3O | InChi: | InChI=1S/C23H20N8O8S3/c24-20-17-21(26-8-25-20)31(9-27-17)23-19(34)18(33)13(39-23)6-38-42(36,37)30-22(35)12-7-40-15(29-12)3-4-16-28-11-2-1-10(32)5-14(11)41-16/h1-5,7-9,13,18-19,23,32-34H,6H2,(H,30,35)(H2,24,25,26)/b4-3+/t13-,18-,19-,23-/m1/s1 | Definition date: | 2018-09-21 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate |
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![G6W G6W](https://data.pdbj.org/pdbjplus/data/cc/svg/G6W.svg) | G6W | Name: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide | Formula: | C14 H17 N5 O2 S | SMILES: | CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2 | InChi: | InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21) | Definition date: | 2018-08-29 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide |
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![GCE GCE](https://data.pdbj.org/pdbjplus/data/cc/svg/GCE.svg) | GCE | Name: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide | Formula: | C20 H22 F2 N4 O2 S | SMILES: | CON(C)C(=O)N1N=C(S[C]1(CCCN)c2ccccc2)c3cc(F)ccc3F | InChi: | InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1 | Definition date: | 2018-09-12 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide |
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![QSP QSP](https://data.pdbj.org/pdbjplus/data/cc/svg/QSP.svg) | QSP | Name: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid | Formula: | C16 H27 N4 O13 P3 S | SMILES: | Cc1ncc(CN2[CH](SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)[C](O)(CCC(O)=O)[P](O)(O)=O)c(N)n1 | InChi: | InChI=1S/C16H27N4O13P3S/c1-9-12(4-6-32-36(30,31)33-35(27,28)29)37-15(16(23,34(24,25)26)5-3-13(21)22)20(9)8-11-7-18-10(2)19-14(11)17/h7,15,23H,3-6,8H2,1-2H3,(H,21,22)(H,30,31)(H2,17,18,19)(H2,24,25,26)(H2,27,28,29)/t15-,16+/m1/s1 | Definition date: | 2019-03-16 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid |
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![K3T K3T](https://data.pdbj.org/pdbjplus/data/cc/svg/K3T.svg) | K3T | Name: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide | Formula: | C12 H8 Cl F N2 O S2 | SMILES: | Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3 | InChi: | InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17) | Definition date: | 2017-01-24 | Last modified: | 2019-09-04 | Release date: | 2017-10-25 | Identifier: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide |
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![C6R C6R](https://data.pdbj.org/pdbjplus/data/cc/svg/C6R.svg) | C6R | Name: | N-[3-[(4S,5R)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | Formula: | C23 H21 F2 N5 O2 S | SMILES: | C[C]1(N=C(N)SC[CH]1c2ccccc2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F | InChi: | InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23-/m1/s1 | Definition date: | 2019-04-11 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | ~{N}-[3-[(4~{S},5~{R})-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
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![C7X C7X](https://data.pdbj.org/pdbjplus/data/cc/svg/C7X.svg) | C7X | Name: | N-[3-[(4S,5S)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | Formula: | C23 H21 F2 N5 O2 S | SMILES: | C[C]1(N=C(N)SC[CH]1c2ccccc2)c3cc(NC(=O)c4cnc(OCF)cn4)ccc3F | InChi: | InChI=1S/C23H21F2N5O2S/c1-23(17(12-33-22(26)30-23)14-5-3-2-4-6-14)16-9-15(7-8-18(16)25)29-21(31)19-10-28-20(11-27-19)32-13-24/h2-11,17H,12-13H2,1H3,(H2,26,30)(H,29,31)/t17-,23+/m0/s1 | Definition date: | 2019-04-12 | Last modified: | 2019-08-23 | Release date: | 2019-08-28 | Identifier: | ~{N}-[3-[(4~{S},5~{S})-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
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![L8W L8W](https://data.pdbj.org/pdbjplus/data/cc/svg/L8W.svg) | L8W | Name: | (+)-JD1 | Formula: | C29 H17 Cl Fe N5 O S | SMILES: | [Fe].Cc1sc2n3c(C)nnc3[CH](CC(=O)NC4C=CC=C4)N=C(c5ccc(Cl)cc5)c2c1C.C6C=CC=C6 | InChi: | InChI=1S/C24H17ClN5OS.C5H.Fe/c1-13-14(2)32-24-21(13)22(16-8-10-17(25)11-9-16)27-19(23-29-28-15(3)30(23)24)12-20(31)26-18-6-4-5-7-18 | Definition date: | 2019-07-30 | Last modified: | 2019-08-09 | Release date: | 2019-08-14 |
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![M9Y M9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/M9Y.svg) | M9Y | Name: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | Formula: | C33 H42 F3 N5 S | SMILES: | FC(F)(F)CNCC#Cc1c(sc(n1)c3cc2ccn(c2cc3)CCC4CCNCC4)C5(CCCCC5)N6CCCC6 | InChi: | InChI=1S/C33H42F3N5S/c34-33(35,36)24-38-16-6-7-28-30(32(14-2-1-3-15-32)41-19-4-5-20-41)42-31(39-28)27-8-9-29-26(23-27)13-22-40(29)21-12-25-10-17-37-18-11-25/h8-9,13,22-23,25,37-38H,1-5,10-12,14-21,24H2 | Definition date: | 2019-03-28 | Last modified: | 2019-07-26 | Release date: | 2019-07-31 | Identifier: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine |
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![O97 O97](https://data.pdbj.org/pdbjplus/data/cc/svg/O97.svg) | O97 | Name: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide | Formula: | C17 H14 N2 O2 S2 | SMILES: | c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4cc(C(N)=O)s3 | InChi: | InChI=1S/C17H14N2O2S2/c18-16(20)15-8-11-10(2-1-3-12(11)23-15)13-6-7-14(22-13)17(21)19-9-4-5-9/h1-3,6-9H,4-5H2,(H2,18,20)(H,19,21) | Definition date: | 2019-06-19 | Last modified: | 2019-07-19 | Release date: | 2019-07-24 | Identifier: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide |
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![MYM MYM](https://data.pdbj.org/pdbjplus/data/cc/svg/MYM.svg) | MYM | Name: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate | Formula: | C31 H51 N2 O9 P S | SMILES: | C(CNC(CCNC(C(C(COP(O)(O)=O)(C)C)O)=O)=O)SC(=O)C1(C)CCCC4(C)C1CC(O)C32C4CC(/C(C2)=C)CC3 | InChi: | InChI=1S/C31H51N2O9PS/c1-19-17-31-11-7-20(19)15-22(31)29(4)9-6-10-30(5,21(29)16-23(31)34)27(38)44-14-13-32-24(35)8-12-33-26(37)25(36)28(2,3)18-42-43(39,40)41/h20-23,25,34,36H,1,6-18H2,2-5H3,(H,32,35)(H,33,37)(H2,39,40,41)/t20-,21-,22-,23+,25-,29+,30+,31+/m0/s1 | Definition date: | 2019-04-24 | Last modified: | 2019-07-19 | Release date: | 2019-07-24 | Identifier: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate |
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![LJP LJP](https://data.pdbj.org/pdbjplus/data/cc/svg/LJP.svg) | LJP | Name: | N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide | Formula: | C16 H20 N4 O3 S | SMILES: | CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C | InChi: | InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | Definition date: | 2019-02-22 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide |
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![MIA MIA](https://data.pdbj.org/pdbjplus/data/cc/svg/MIA.svg) | MIA | Name: | 2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE | Formula: | C16 H24 N5 O7 P S | SMILES: | OP(=O)(O)OCC1OC(C(C1O)O)n2cnc3c(NCC=C(C)C)nc(nc23)SC | InChi: | InChI=1S/C16H24N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h4,7,9,11-12,15,22-23H,5-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2019-06-13 | Identifier: | N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate) |
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![GBV GBV](https://data.pdbj.org/pdbjplus/data/cc/svg/GBV.svg) | GBV | Name: | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide | Formula: | C20 H26 N2 O4 S3 | SMILES: | C(COc1ccc(cc1)CC=2C(NC(=O)S=2)=O)NC(CCCCC3CCSS3)=O | InChi: | InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16,28H,1-4,9-13H2,(H,21,23)(H,22,24,25)/t16-/m1/s1 | Definition date: | 2018-05-18 | Last modified: | 2019-05-17 | Release date: | 2019-05-22 | Identifier: | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide |
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![ZZD ZZD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZD.svg) | ZZD | Name: | S-TRITYL-L-CYSTEINE | Formula: | C22 H21 N O2 S | SMILES: | O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1 | Definition date: | 2009-07-23 | Last modified: | 2019-05-07 | Identifier: | S-trityl-L-cysteine |
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![LJM LJM](https://data.pdbj.org/pdbjplus/data/cc/svg/LJM.svg) | LJM | Name: | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide | Formula: | C13 H13 F N2 O S | SMILES: | n2c(C(NCc1ccc(F)cc1)=O)sc(c2)CC | InChi: | InChI=1S/C13H13FN2OS/c1-2-11-8-16-13(18-11)12(17)15-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,17) | Definition date: | 2019-02-22 | Last modified: | 2019-05-03 | Release date: | 2019-05-08 | Identifier: | 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide |
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![HRS HRS](https://data.pdbj.org/pdbjplus/data/cc/svg/HRS.svg) | HRS | Name: | 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide | Formula: | C10 H7 Br N2 O4 S2 | SMILES: | c1(sc(cc1)Br)S(Nc2ccc(cc2)N(=O)=O)(=O)=O | InChi: | InChI=1S/C10H7BrN2O4S2/c11-9-5-6-10(18-9)19(16,17)12-7-1-3-8(4-2-7)13(14)15/h1-6,12H | Definition date: | 2018-07-18 | Last modified: | 2019-04-19 | Release date: | 2019-04-24 | Identifier: | 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide |
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