![6TM 6TM](https://data.pdbj.org/pdbjplus/data/cc/svg/6TM.svg) | 6TM | Name: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide | Formula: | C32 H37 Cl2 N7 O | SMILES: | Clc1ccc(CCN2CCN(CC2)c3ccccc3c4cc(C(=O)NCCCN5CCCC5)c6c[nH]nc6n4)cc1Cl | InChi: | InChI=1S/C32H37Cl2N7O/c33-27-9-8-23(20-28(27)34)10-15-40-16-18-41(19-17-40)30-7-2-1-6-24(30)29-21-25(26-22-36-38-31(26)37-29)32(42)35-11-5-14-39-12-3-4-13-39/h1-2,6-9,20-22H,3-5,10-19H2,(H,35,42)(H,36,37,38) | Synonyms: | AZ931 | Definition date: | 2016-06-21 | Last modified: | 2021-03-01 | Release date: | 2016-12-07 | Identifier: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
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![6U4 6U4](https://data.pdbj.org/pdbjplus/data/cc/svg/6U4.svg) | 6U4 | Name: | [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H16 N5 O13 P3 | SMILES: | NC1=C2N=CN([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3)C2=NC(=O)N1 | InChi: | InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | Synonyms: | 2-oxo-dATP | Definition date: | 2016-06-24 | Last modified: | 2021-03-01 | Release date: | 2017-01-04 | Identifier: | [[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![6UQ 6UQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6UQ.svg) | 6UQ | Name: | (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) | Formula: | C61 H90 Cl2 O32 | SMILES: | C%11(OC(c1c(c(c(c(c1C)Cl)O)Cl)OC)=O)C(OC(OC%10C(CC9(OC8C(OC(OC7C(C(OC6C(C(C(OC5C(C4OC3(C2OCOC2C(C(C)O)(C(O3)C)O)OC4CO5)OC(C(C)C)=O)OC6COC)OC)O)OC(C7OC)C)O)CC8(O9)C)C)OC%10C)O)CC%11O)C | InChi: | InChI=1S/C61H90Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-34,39-45,47-52,55-57,64-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,27+,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59-,60-,61-/m1/s1 | Synonyms: | Avilamycin C | Definition date: | 2016-06-28 | Last modified: | 2021-03-01 | Release date: | 2016-08-17 | Identifier: | (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) |
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![6US 6US](https://data.pdbj.org/pdbjplus/data/cc/svg/6US.svg) | 6US | Name: | [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid | Formula: | C20 H24 N7 O6 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O | InChi: | InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17+,20-/m1/s1 | Synonyms: | TpAra-Ad | Definition date: | 2016-06-28 | Last modified: | 2021-03-01 | Release date: | 2017-06-28 | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid |
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![6V0 6V0](https://data.pdbj.org/pdbjplus/data/cc/svg/6V0.svg) | 6V0 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C21 H29 N7 O14 P2 | SMILES: | NC(=O)C1=CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,4,7-8,10-11,13-16,20-21,29-32H,3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | 6DHNAD | Definition date: | 2016-06-30 | Last modified: | 2021-03-01 | Release date: | 2016-11-02 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![6VC 6VC](https://data.pdbj.org/pdbjplus/data/cc/svg/6VC.svg) | 6VC | Name: | ~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide | Formula: | C20 H40 N2 O6 | SMILES: | CC(C)CCCCC(=O)N[CH](CO)C(=O)N[CH](CC(C)C)[CH](O)[C](C)(O)CO | InChi: | InChI=1S/C20H40N2O6/c1-13(2)8-6-7-9-17(25)21-16(11-23)19(27)22-15(10-14(3)4)18(26)20(5,28)12-24/h13-16,18,23-24,26,28H,6-12H2,1-5H3,(H,21,25)(H,22,27)/t15-,16-,18+,20-/m0/s1 | Synonyms: | Dihydroeponemycin bound form | Definition date: | 2016-07-05 | Last modified: | 2021-03-01 | Release date: | 2016-08-17 | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide |
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![6VP 6VP](https://data.pdbj.org/pdbjplus/data/cc/svg/6VP.svg) | 6VP | Name: | 5-nitro-2-oxidanyl-benzenecarbonitrile | Formula: | C7 H4 N2 O3 | SMILES: | Oc1ccc(cc1C#N)[N+]([O-])=O | InChi: | InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H | Synonyms: | 2-hydroxy-5-nitrobenzonitrile | Definition date: | 2016-07-05 | Last modified: | 2021-03-01 | Release date: | 2016-09-07 | Identifier: | 5-nitro-2-oxidanyl-benzenecarbonitrile |
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![6W9 6W9](https://data.pdbj.org/pdbjplus/data/cc/svg/6W9.svg) | 6W9 | Name: | 2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid | Formula: | C13 H23 N5 O7 P2 | SMILES: | O[P](O)(=O)CCCCN(CCn1cnc2C(=O)NC=Nc12)CC[P](O)(O)=O | InChi: | InChI=1S/C13H23N5O7P2/c19-13-11-12(14-9-15-13)18(10-16-11)5-4-17(6-8-27(23,24)25)3-1-2-7-26(20,21)22/h9-10H,1-8H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25) | Synonyms: | 9-[N-(Phosphonoethyl)-N-(phosphonobutyl)-2-aminoethyl]-hypoxanthine | Definition date: | 2016-07-08 | Last modified: | 2021-03-01 | Release date: | 2017-07-19 | Identifier: | 2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid |
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![6Y3 6Y3](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y3.svg) | 6Y3 | Name: | ~{N}-(4-aminophenyl)-2-selanyl-benzamide | Formula: | C13 H12 N2 O Se | SMILES: | Nc1ccc(NC(=O)c2ccccc2[SeH])cc1 | InChi: | InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16) | Synonyms: | amino-ebselen (open form) | Definition date: | 2016-07-21 | Last modified: | 2021-03-01 | Release date: | 2017-03-29 | Identifier: | ~{N}-(4-aminophenyl)-2-selanyl-benzamide |
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![6ZB 6ZB](https://data.pdbj.org/pdbjplus/data/cc/svg/6ZB.svg) | 6ZB | Name: | N-hydroxy-L-tryptophanamide | Formula: | C11 H13 N3 O2 | SMILES: | O=C(NO)C(N)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1 | Synonyms: | N-hydroxy-L-tryptophanamide | Definition date: | 2016-07-28 | Last modified: | 2021-03-01 | Release date: | 2017-11-08 | Identifier: | N-hydroxy-L-tryptophanamide |
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![71V 71V](https://data.pdbj.org/pdbjplus/data/cc/svg/71V.svg) | 71V | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C10 H14 N5 O7 P S | SMILES: | Nc1nc(S)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1 | InChi: | InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1 | Synonyms: | 6-Thio-GMP | Definition date: | 2016-08-13 | Last modified: | 2021-03-01 | Release date: | 2016-08-23 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![71X 71X](https://data.pdbj.org/pdbjplus/data/cc/svg/71X.svg) | 71X | Name: | ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | Formula: | C20 H23 Cl N2 O3 | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23 | InChi: | InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m1/s1 | Synonyms: | XDM207PS2T2 | Definition date: | 2016-08-13 | Last modified: | 2021-03-01 | Release date: | 2017-08-16 | Identifier: | ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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![760 760](https://data.pdbj.org/pdbjplus/data/cc/svg/760.svg) | 760 | Name: | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | Formula: | C20 H20 N2 | SMILES: | n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4 | InChi: | InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22) | Synonyms: | 9-N-PHENYLMETHYLAMINO-TACRINE | Definition date: | 1999-12-20 | Last modified: | 2021-03-01 | Identifier: | N-benzyl-1,2,3,4-tetrahydroacridin-9-amine |
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![76R 76R](https://data.pdbj.org/pdbjplus/data/cc/svg/76R.svg) | 76R | Name: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese | Formula: | C36 H36 Mn N4 O8 | SMILES: | OC(=O)CCC1=C(C)C=3N2=C1C=C8N7[Mn]25n4c(C=3)c(CCC(O)=O)c(C)c4C=C6N5=C(C(=C6CCC(=O)O)C)C=C7C(=C8CCC(O)=O)C | InChi: | InChI=1S/C36H38N4O8.Mn/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29 | Synonyms: | Manganese-Coproporphyrin III | Definition date: | 2016-09-07 | Last modified: | 2021-03-01 | Release date: | 2017-01-18 | Identifier: | [3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetra(propanoato)(2-)]manganese |
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![777 777](https://data.pdbj.org/pdbjplus/data/cc/svg/777.svg) | 777 | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid | Formula: | C12 H19 N6 O7 P | SMILES: | CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23 | InChi: | InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1 | Synonyms: | D-Trp-G | Definition date: | 2016-06-28 | Last modified: | 2021-03-01 | Release date: | 2017-06-28 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid |
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![A15 A15](https://data.pdbj.org/pdbjplus/data/cc/svg/A15.svg) | A15 | Name: | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE | Formula: | C24 H14 Cl2 O4 | SMILES: | Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5 | InChi: | InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H | Synonyms: | A156 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one |
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![A1F A1F](https://data.pdbj.org/pdbjplus/data/cc/svg/A1F.svg) | A1F | Name: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | Formula: | C20 H23 F N2 O3 S | SMILES: | c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | Synonyms: | AMF1alpha | Definition date: | 2017-05-15 | Last modified: | 2021-03-01 | Release date: | 2017-11-15 | Identifier: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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![A2D A2D](https://data.pdbj.org/pdbjplus/data/cc/svg/A2D.svg) | A2D | Name: | BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE | Formula: | C20 H26 N10 O13 P2 | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O | InChi: | InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Synonyms: | BIS(ADENOSINE)-5'-DIPHOSPHATE | Definition date: | 2006-10-25 | Last modified: | 2021-03-01 | Identifier: | bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name) |
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![A2N A2N](https://data.pdbj.org/pdbjplus/data/cc/svg/A2N.svg) | A2N | Name: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Formula: | C17 H26 N6 O14 P2 | SMILES: | O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C | InChi: | InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1 | Synonyms: | 2'-N-Acetyl ADP ribose | Definition date: | 2010-11-16 | Last modified: | 2021-03-01 | Identifier: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![A2V A2V](https://data.pdbj.org/pdbjplus/data/cc/svg/A2V.svg) | A2V | Name: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | Formula: | C20 H22 F2 N2 O3 S | SMILES: | c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3 | Synonyms: | AMF2beta | Definition date: | 2017-05-15 | Last modified: | 2021-03-01 | Release date: | 2017-11-15 | Identifier: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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![A3W A3W](https://data.pdbj.org/pdbjplus/data/cc/svg/A3W.svg) | A3W | Name: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine | Formula: | C17 H20 F3 N7 O2 | SMILES: | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | InChi: | InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | Synonyms: | PQR309 | Definition date: | 2017-08-10 | Last modified: | 2021-03-01 | Release date: | 2017-09-06 | Identifier: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine |
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![A7E A7E](https://data.pdbj.org/pdbjplus/data/cc/svg/A7E.svg) | A7E | Name: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C12 H14 N5 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2nc(C#C)c1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1 | Synonyms: | 8-aza-7-deaza-7-ethynyl Adenosine | Definition date: | 2013-11-22 | Last modified: | 2021-03-01 | Release date: | 2014-07-02 | Identifier: | 3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![ABM ABM](https://data.pdbj.org/pdbjplus/data/cc/svg/ABM.svg) | ABM | Name: | METHYL PHOSPHONIC ACID ADENOSINE ESTER | Formula: | C11 H16 N5 O6 P | SMILES: | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | InChi: | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | Synonyms: | ALPHA-METHYLENE ADENOSINE MONOPHOSPHATE | Definition date: | 1999-12-16 | Last modified: | 2021-03-01 | Identifier: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
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![AD4 AD4](https://data.pdbj.org/pdbjplus/data/cc/svg/AD4.svg) | AD4 | Name: | (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-7-(OCTANOYLOXY)-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-4-YL 12-[(TERT-BUTOXYCARBONYL)AMINO]DODECANOATE | Formula: | C47 H75 N O14 | SMILES: | O=C(OC(C)(C)C)NCCCCCCCCCCCC(=O)OC2CC(OC(=O)C)(C1C(=C(C(OC(=O)C(=C/C)C)C1OC(=O)CCCCCCC)C)C3OC(=O)C(O)(C)C23O)C | InChi: | InChI=1S/C47H75NO14/c1-11-13-14-20-23-27-35(51)58-39-37-36(31(4)38(39)59-41(52)30(3)12-2)40-47(56,46(10,55)42(53)60-40)33(29-45(37,9)61-32(5)49)57-34(50)26-24-21-18-16-15-17-19-22-25-28-48-43(54)62-44(6,7)8/h12,33,37-40,55-56H,11,13-29H2,1-10H3,(H,48,54)/b30-12-/t33-,37+,38-,39-,40-,45-,46+,47+/m0/s1 | Synonyms: | ((((3'-DEOXY-3'-THYMIDINYL)-AMINO)CARBONYL)METHYL) | Definition date: | 2006-10-19 | Last modified: | 2021-03-01 | Identifier: | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate |
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![ADL ADL](https://data.pdbj.org/pdbjplus/data/cc/svg/ADL.svg) | ADL | Name: | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | Formula: | C16 H12 O5 | SMILES: | O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3 | InChi: | InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19) | Synonyms: | ACETYL DITHRANOL | Definition date: | 2002-12-12 | Last modified: | 2021-03-01 | Identifier: | (1,8-dihydroxy-9-oxo-9,10-dihydroanthracen-2-yl)acetic acid |
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