![JXP JXP](https://data.pdbj.org/pdbjplus/data/cc/svg/JXP.svg) | JXP | Name: | 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C18 H13 Cl F N5 O | SMILES: | c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N | InChi: | InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25) | Definition date: | 2018-10-09 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![JXS JXS](https://data.pdbj.org/pdbjplus/data/cc/svg/JXS.svg) | JXS | Name: | 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Formula: | C16 H15 N7 O | SMILES: | c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4 | InChi: | InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22) | Definition date: | 2018-10-09 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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![DKQ DKQ](https://data.pdbj.org/pdbjplus/data/cc/svg/DKQ.svg) | DKQ | Name: | 4-chloranylbenzenecarboximidamide | Formula: | C7 H7 Cl N2 | SMILES: | NC(=N)c1ccc(Cl)cc1 | InChi: | InChI=1S/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10) | Definition date: | 2018-01-23 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 4-chloranylbenzenecarboximidamide |
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![DQ2 DQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/DQ2.svg) | DQ2 | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium | Formula: | C15 H23 N10 O4 S | SMILES: | NCCNC(=O)CCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O | InChi: | InChI=1S/C15H22N10O4S/c16-2-3-19-8(26)1-4-30-15-23-9-12(17)20-6-21-13(9)25(15)14-11(28)10(27)7(29-14)5-22-24-18/h6-7,10-11,14,18,27-28H,1-5,16H2,(H2-,17,19,20,21,26)/p+1/t7-,10-,11-,14-/m1/s1 | Definition date: | 2018-01-26 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium |
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![DTK DTK](https://data.pdbj.org/pdbjplus/data/cc/svg/DTK.svg) | DTK | Name: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol | Formula: | C14 H26 O8 | SMILES: | CO[CH]1C[CH](C[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1 | Definition date: | 2018-01-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol |
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![DTW DTW](https://data.pdbj.org/pdbjplus/data/cc/svg/DTW.svg) | DTW | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium | Formula: | C14 H21 N10 O4 S | SMILES: | NNC(=O)CCCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O | InChi: | InChI=1S/C14H20N10O4S/c15-11-8-12(19-5-18-11)24(14(21-8)29-3-1-2-7(25)22-16)13-10(27)9(26)6(28-13)4-20-23-17/h5-6,9-10,13,16,26-27H,1-4H2,(H4,15,17,18,19,20)/p+1/t6-,9-,10-,13-/m1/s1 | Definition date: | 2018-01-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium |
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![KC1 KC1](https://data.pdbj.org/pdbjplus/data/cc/svg/KC1.svg) | KC1 | Name: | Chlorophyll c1 | Formula: | C35 H30 Mg N4 O5 | SMILES: | N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C | InChi: | InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22 | Definition date: | 2018-10-17 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | (2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium |
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![KC2 KC2](https://data.pdbj.org/pdbjplus/data/cc/svg/KC2.svg) | KC2 | Name: | Chlorophyll c2 | Formula: | C35 H28 Mg N4 O5 | SMILES: | N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C | InChi: | InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22 | Definition date: | 2018-10-17 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | (2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium |
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![J9Y J9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/J9Y.svg) | J9Y | Name: | (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate | Formula: | C7 H16 N4 O3 | SMILES: | NC(CCC/[N+](O)=C(/N)NC)C([O-])=O | InChi: | InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1 | Definition date: | 2018-08-27 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate |
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![AWT AWT](https://data.pdbj.org/pdbjplus/data/cc/svg/AWT.svg) | AWT | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine | Formula: | C22 H23 N5 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC | InChi: | InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine |
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![AWW AWW](https://data.pdbj.org/pdbjplus/data/cc/svg/AWW.svg) | AWW | Name: | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol | Formula: | C24 H27 N3 O3 S | SMILES: | COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC | InChi: | InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol |
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![AWZ AWZ](https://data.pdbj.org/pdbjplus/data/cc/svg/AWZ.svg) | AWZ | Name: | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Formula: | C23 H25 N5 O2 S | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC | InChi: | InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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![AXE AXE](https://data.pdbj.org/pdbjplus/data/cc/svg/AXE.svg) | AXE | Name: | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine | Formula: | C22 H21 N3 O2 | SMILES: | COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC | InChi: | InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine |
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![AXH AXH](https://data.pdbj.org/pdbjplus/data/cc/svg/AXH.svg) | AXH | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine | Formula: | C25 H28 N4 O2 S | SMILES: | CNCc1ccccc1c2csc(c2)[CH](C)Nc3nc(C)nc4cc(OC)c(OC)cc34 | InChi: | InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine |
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![HVS HVS](https://data.pdbj.org/pdbjplus/data/cc/svg/HVS.svg) | HVS | Name: | (1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate | Formula: | C13 H11 O4 | SMILES: | C(/c1ccccc1)(=CC(C)=[C@H]C(=O)C(O)=O)[O-] | InChi: | InChI=1S/C13H12O4/c1-9(8-12(15)13(16)17)7-11(14)10-5-3-2-4-6-10/h2-8,14H,1H3,(H,16,17)/p-1/b9-8+,11-7- | Definition date: | 2018-07-26 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate |
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![HX7 HX7](https://data.pdbj.org/pdbjplus/data/cc/svg/HX7.svg) | HX7 | Name: | N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide | Formula: | C22 H30 Cl2 N2 O4 S | SMILES: | CS(=O)(=O)Nc1ccc(cc1)OCC(O)CN(CCCC)CCc2cc(Cl)c(Cl)cc2 | InChi: | InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m0/s1 | Definition date: | 2018-07-30 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | N-{4-[(2S)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide |
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![HXM HXM](https://data.pdbj.org/pdbjplus/data/cc/svg/HXM.svg) | HXM | Name: | N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide | Formula: | C21 H28 Cl2 N2 O4 S | SMILES: | C(C)(N(CC(COc1ccc(cc1)NS(C)(=O)=O)O)CCc2cc(c(cc2)Cl)Cl)C | InChi: | InChI=1S/C21H28Cl2N2O4S/c1-15(2)25(11-10-16-4-9-20(22)21(23)12-16)13-18(26)14-29-19-7-5-17(6-8-19)24-30(3,27)28/h4-9,12,15,18,24,26H,10-11,13-14H2,1-3H3/t18-/m0/s1 | Definition date: | 2018-07-30 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide |
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![SGJ SGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SGJ.svg) | SGJ | Name: | 1,4-dideoxy-4-thio-nojirimycin | Formula: | C6 H13 N O3 S | SMILES: | OC[CH]1NC[CH](O)[CH](O)[CH]1S | InChi: | InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | Definition date: | 2017-12-15 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-sulfanyl-piperidine-3,4-diol |
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![9K3 9K3](https://data.pdbj.org/pdbjplus/data/cc/svg/9K3.svg) | 9K3 | Name: | 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol | Formula: | C17 H23 N5 O | SMILES: | n1c(N)c3c(c2c1cccc2)n(CC(O)(C)C)c(CNCC)n3 | InChi: | InChI=1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20) | Definition date: | 2018-05-19 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol |
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![9K9 9K9](https://data.pdbj.org/pdbjplus/data/cc/svg/9K9.svg) | 9K9 | Name: | 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one | Formula: | C10 H12 N5 O7 P | SMILES: | O=C1c2c(NC(=N1)N)n(cn2)C4C3OP(OC3C(O4)CO)(=O)O | InChi: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2018-05-19 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one |
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![T88 T88](https://data.pdbj.org/pdbjplus/data/cc/svg/T88.svg) | T88 | Name: | N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide | Formula: | C22 H30 Cl2 N2 O4 S | SMILES: | c1(c(Cl)ccc(c1)CCN(CC(COc2ccc(cc2)NS(=O)(C)=O)O)CCCC)Cl | InChi: | InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m1/s1 | Definition date: | 2018-07-30 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | N-{4-[(2R)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide |
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![T97 T97](https://data.pdbj.org/pdbjplus/data/cc/svg/T97.svg) | T97 | Name: | N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide | Formula: | C22 H30 Cl2 N2 O4 S | SMILES: | c1(Cl)c(Cl)ccc(c1)CCN(CC(C)C)CC(O)COc2ccc(cc2)NS(=O)(=O)C | InChi: | InChI=1S/C22H30Cl2N2O4S/c1-16(2)13-26(11-10-17-4-9-21(23)22(24)12-17)14-19(27)15-30-20-7-5-18(6-8-20)25-31(3,28)29/h4-9,12,16,19,25,27H,10-11,13-15H2,1-3H3/t19-/m0/s1 | Definition date: | 2018-07-30 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | N-{4-[(2S)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide |
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![TGQ TGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/TGQ.svg) | TGQ | Name: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid | Formula: | C20 H25 N7 O6 | SMILES: | CN(C[CH]1CNC2=C(N1)C(=O)N=C(N)N2)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C20H25N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,11,13,23H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,22,25,26,31)/t11-,13+/m1/s1 | Definition date: | 2018-12-06 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid |
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![A5U A5U](https://data.pdbj.org/pdbjplus/data/cc/svg/A5U.svg) | A5U | Name: | methyl (2S)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate | Formula: | C11 H22 N2 O4 | SMILES: | COC(=O)[CH](N)C(C)(C)NC(=O)OC(C)(C)C | InChi: | InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-11(4,5)7(12)8(14)16-6/h7H,12H2,1-6H3,(H,13,15)/t7-/m1/s1 | Definition date: | 2018-10-02 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | methyl (2~{S})-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
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![J3W J3W](https://data.pdbj.org/pdbjplus/data/cc/svg/J3W.svg) | J3W | Name: | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C40 H53 N5 O6 S | SMILES: | COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4sccc4)C(C)(C)C | InChi: | InChI=1S/C40H53N5O6S/c1-27(2)33-35(46)41-22-8-7-11-28-13-15-29(16-14-28)25-40(50,37(48)42-33)21-10-23-45(44-36(47)34(39(3,4)5)43-38(49)51-6)26-30-17-19-31(20-18-30)32-12-9-24-52-32/h7-9,12-20,24,27,33-34,50H,10-11,21-23,25-26H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t33-,34+,40+/m0/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-01-25 | Release date: | 2019-01-30 | Identifier: | methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate |
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