![DX1 DX1](https://data.pdbj.org/pdbjplus/data/cc/svg/DX1.svg) | DX1 | Name: | 6,7-bis(1-methylethyl)pteridine-2,4-diamine | Formula: | C12 H18 N6 | SMILES: | n1c2c(nc(c1C(C)C)C(C)C)nc(nc2N)N | InChi: | InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18) | Definition date: | 2007-12-14 | Last modified: | 2011-06-04 | Identifier: | 6,7-bis(1-methylethyl)pteridine-2,4-diamine |
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![6MR 6MR](https://data.pdbj.org/pdbjplus/data/cc/svg/6MR.svg) | 6MR | Name: | N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN | Formula: | C23 H19 I N2 O4 S | SMILES: | Ic1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | InChi: | InChI=1S/C23H19IN2O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)31(29,30)26-22(23(27)28)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25-26H,13H2,(H,27,28)/t22-/m1/s1 | Definition date: | 2007-02-16 | Last modified: | 2011-06-04 | Identifier: | N-[(4'-iodobiphenyl-4-yl)sulfonyl]-D-tryptophan |
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![DXQ DXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/DXQ.svg) | DXQ | Name: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | Formula: | C26 H43 N7 O2 | SMILES: | O(c3cc2nc(nc(NC1CCN(C)CC1)c2cc3OC)N4CCCN(C)CC4)CCCN(C)C | InChi: | InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29) | Definition date: | 2009-10-09 | Last modified: | 2011-06-04 | Identifier: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine |
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![DXX DXX](https://data.pdbj.org/pdbjplus/data/cc/svg/DXX.svg) | DXX | Name: | METHYLMALONIC ACID | Formula: | C4 H6 O4 | SMILES: | O=C(O)C(C(=O)O)C | InChi: | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) | Definition date: | 1999-08-26 | Last modified: | 2011-06-04 | Identifier: | methylpropanedioic acid |
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![DYP DYP](https://data.pdbj.org/pdbjplus/data/cc/svg/DYP.svg) | DYP | Name: | 1-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZYL)PIPERIDIN-4-YL]PROPAN-1-ONE | Formula: | C22 H28 N8 O | SMILES: | O=C(C4CCN(Cc3ccc(NCc1nc2c(nc1)nc(nc2N)N)cc3)CC4)CC | InChi: | InChI=1S/C22H28N8O/c1-2-18(31)15-7-9-30(10-8-15)13-14-3-5-16(6-4-14)25-11-17-12-26-21-19(27-17)20(23)28-22(24)29-21/h3-6,12,15,25H,2,7-11,13H2,1H3,(H4,23,24,26,28,29) | Definition date: | 2005-08-29 | Last modified: | 2011-06-04 | Identifier: | 1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one |
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![DYS DYS](https://data.pdbj.org/pdbjplus/data/cc/svg/DYS.svg) | DYS | Name: | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine | Formula: | C11 H16 N2 O4 S | SMILES: | O=C(O)C(N)CSc1cc(cc(O)c1O)CCN | InChi: | InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1 | Definition date: | 2007-10-08 | Last modified: | 2011-06-04 | Identifier: | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine |
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![DZ8 DZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ8.svg) | DZ8 | Name: | 2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | Formula: | C19 H22 F I N6 O2 | SMILES: | Fc1nc2n(c(nc2c(n1)N)Cc3cc4OCOc4cc3I)CCCNC(C)C | InChi: | InChI=1S/C19H22FIN6O2/c1-10(2)23-4-3-5-27-15(24-16-17(22)25-19(20)26-18(16)27)7-11-6-13-14(8-12(11)21)29-9-28-13/h6,8,10,23H,3-5,7,9H2,1-2H3,(H2,22,25,26) | Definition date: | 2006-06-05 | Last modified: | 2011-06-04 | Identifier: | 2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine |
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![DZE DZE](https://data.pdbj.org/pdbjplus/data/cc/svg/DZE.svg) | DZE | Name: | methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate | Formula: | C11 H19 N O5 | SMILES: | O=C(OC(C)(C)C)NC(C(=O)C)CC(=O)OC | InChi: | InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1 | Definition date: | 2009-03-10 | Last modified: | 2011-06-04 | Identifier: | methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate |
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![E09 E09](https://data.pdbj.org/pdbjplus/data/cc/svg/E09.svg) | E09 | Name: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL | Formula: | C15 H18 N2 O4 | SMILES: | O=C2c1n(c(c(c1C(=O)C(=C2)N3CC3)CO)CCCO)C | InChi: | InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3 | Definition date: | 2000-07-27 | Last modified: | 2011-06-04 | Identifier: | 5-aziridin-1-yl-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methyl-1H-indole-4,7-dione |
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![MO9 MO9](https://data.pdbj.org/pdbjplus/data/cc/svg/MO9.svg) | MO9 | Name: | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | Formula: | C18 H21 F2 N3 O7 S | SMILES: | O=C(OC(C(=O)NCC#N)CS(=O)(=O)Cc1ccccc1OC(F)F)N2CCOCC2 | InChi: | InChI=1S/C18H21F2N3O7S/c19-17(20)29-14-4-2-1-3-13(14)11-31(26,27)12-15(16(24)22-6-5-21)30-18(25)23-7-9-28-10-8-23/h1-4,15,17H,6-12H2,(H,22,24)/t15-/m0/s1 | Definition date: | 2006-03-21 | Last modified: | 2011-06-04 | Identifier: | (1R)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate |
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![MPA MPA](https://data.pdbj.org/pdbjplus/data/cc/svg/MPA.svg) | MPA | Name: | (1R)-MENTHYL HEXYL PHOSPHONATE GROUP | Formula: | C16 H33 O3 P | SMILES: | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC | InChi: | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate |
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![MPC MPC](https://data.pdbj.org/pdbjplus/data/cc/svg/MPC.svg) | MPC | Name: | (1S)-MENTHYL HEXYL PHOSPHONATE GROUP | Formula: | C16 H33 O3 P | SMILES: | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC | InChi: | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate |
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![MPO MPO](https://data.pdbj.org/pdbjplus/data/cc/svg/MPO.svg) | MPO | Name: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID | Formula: | C7 H15 N O4 S | SMILES: | O=S(=O)(O)CCCN1CCOCC1 | InChi: | InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11) | Definition date: | 2000-05-16 | Last modified: | 2011-06-04 | Identifier: | 3-morpholin-4-ylpropane-1-sulfonic acid |
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![MPP MPP](https://data.pdbj.org/pdbjplus/data/cc/svg/MPP.svg) | MPP | Name: | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | Formula: | C11 H14 O4 | SMILES: | O=C(O)CCc1cc(OC)c(OC)cc1 | InChi: | InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 3-(3,4-dimethoxyphenyl)propanoic acid |
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![MQU MQU](https://data.pdbj.org/pdbjplus/data/cc/svg/MQU.svg) | MQU | Name: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE | Formula: | C15 H19 N5 O2 | SMILES: | n3c2ccc1c(ccn1C(COC)COC)c2c(nc3N)N | InChi: | InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19) | Definition date: | 2002-07-19 | Last modified: | 2011-06-04 | Identifier: | 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine |
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![MRT MRT](https://data.pdbj.org/pdbjplus/data/cc/svg/MRT.svg) | MRT | Name: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid | Formula: | C56 H66 N6 O13 | SMILES: | O=C(OCC3c1ccccc1c2ccccc23)N(C)C(c4ccccc4)C(=O)CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc5ccccc5)CC(=O)O)C6CCCCC6)CC(=O)O)CC(C)C | InChi: | InChI=1S/C56H66N6O13/c1-33(2)27-42(57-31-46(63)50(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)51(68)58-44(30-48(66)67)53(70)61-49(35-19-9-5-10-20-35)54(71)59-43(29-47(64)65)52(69)60-45(55(72)73)28-34-17-7-4-8-18-34/h4,6-8,11-18,21-26,33,35,41-45,49-50,57H,5,9-10,19-20,27-32H2,1-3H3,(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)(H,66,67)(H,72,73)/t42-,43-,44-,45-,49-,50+/m0/s1 | Definition date: | 2008-04-14 | Last modified: | 2011-06-04 | Identifier: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid (non-preferred name) |
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![3A1 3A1](https://data.pdbj.org/pdbjplus/data/cc/svg/3A1.svg) | 3A1 | Name: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine | Formula: | C29 H41 N4 O8 P | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO | InChi: | InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1 | Definition date: | 2010-02-05 | Last modified: | 2011-06-04 | Identifier: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine |
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![3A2 3A2](https://data.pdbj.org/pdbjplus/data/cc/svg/3A2.svg) | 3A2 | Name: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine | Formula: | C29 H44 N5 O8 P | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3 | InChi: | InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1 | Definition date: | 2010-02-05 | Last modified: | 2011-06-04 | Identifier: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine |
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![MS7 MS7](https://data.pdbj.org/pdbjplus/data/cc/svg/MS7.svg) | MS7 | Name: | O-benzyl-N-methyl-L-tyrosinamide | Formula: | C17 H20 N2 O2 | SMILES: | O=C(NC)C(N)Cc2ccc(OCc1ccccc1)cc2 | InChi: | InChI=1S/C17H20N2O2/c1-19-17(20)16(18)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3,(H,19,20)/t16-/m0/s1 | Definition date: | 2010-05-05 | Last modified: | 2011-06-04 | Identifier: | O-benzyl-N-methyl-L-tyrosinamide |
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![3AH 3AH](https://data.pdbj.org/pdbjplus/data/cc/svg/3AH.svg) | 3AH | Name: | [HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-YL]-AMINE | Formula: | C8 H11 N7 O2 | SMILES: | O=C(O)C(N)Cc2ncn(c1nc(nn1)N)c2 | InChi: | InChI=1S/C8H11N7O2/c9-5(6(16)17)1-4-2-15(3-11-4)8-12-7(10)13-14-8/h2-3,5H,1,9H2,(H,16,17)(H3,10,12,13,14)/t5-/m0/s1 | Definition date: | 1999-12-01 | Last modified: | 2011-06-04 | Identifier: | 1-(3-amino-1H-1,2,4-triazol-5-yl)-L-histidine |
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![3B3 3B3](https://data.pdbj.org/pdbjplus/data/cc/svg/3B3.svg) | 3B3 | Name: | (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL | Formula: | C12 H14 N4 O3 | SMILES: | [O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12 | InChi: | InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1 | Definition date: | 2006-03-09 | Last modified: | 2011-06-04 | Identifier: | (2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol |
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![3B6 3B6](https://data.pdbj.org/pdbjplus/data/cc/svg/3B6.svg) | 3B6 | Name: | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | Formula: | C18 H14 I N3 O3 | SMILES: | N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C | InChi: | InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1 | Definition date: | 2007-11-28 | Last modified: | 2011-06-04 | Identifier: | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide |
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![MTJ MTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/MTJ.svg) | MTJ | Name: | N,O-DIMETHYL-L-TYROSINE | Formula: | C11 H15 N O3 | SMILES: | O=C(O)C(NC)Cc1ccc(OC)cc1 | InChi: | InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1 | Definition date: | 2004-04-15 | Last modified: | 2011-06-04 | Identifier: | N,O-dimethyl-L-tyrosine |
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![3BP 3BP](https://data.pdbj.org/pdbjplus/data/cc/svg/3BP.svg) | 3BP | Name: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | Formula: | C30 H36 N6 O5 S | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC | InChi: | InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1 | Definition date: | 2004-11-29 | Last modified: | 2011-06-04 | Identifier: | (2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name) |
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![3BR 3BR](https://data.pdbj.org/pdbjplus/data/cc/svg/3BR.svg) | 3BR | Name: | 1-BROMOPROPANE | Formula: | C3 H7 Br | SMILES: | BrCCC | InChi: | InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3 | Definition date: | 2004-11-01 | Last modified: | 2011-06-04 | Identifier: | 1-bromopropane |
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