Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
MJZ
MJZ
表記:(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid
組成式:C17 H26 N4 O17 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(N)C3NC(=O)C)O)O
InChi:InChI=1S/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
定義日:2010-04-29
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
MK0
MK0
表記:1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose
組成式:C38 H77 O9 P
SMILES:O=P(O)(OC1OC(C(O)C(O)C1O)CO)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC
InChi:InChI=1S/C38H77O9P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-45-48(43,44)47-38-37(42)36(41)35(40)34(28-39)46-38/h29-42H,7-28H2,1-6H3,(H,43,44)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38-/m0/s1
定義日:2010-09-17
最終更新日:2011-06-04
識別子（ID）:1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose
7AC
7AC
表記:7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
組成式:C16 H13 Cl N4
SMILES:Clc3ccccc3c1c(C#N)cc2ncn(c2c1CN)C
InChi:InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
定義日:2008-02-27
最終更新日:2011-06-04
識別子（ID）:7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
7AD
7AD
表記:9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE
組成式:C19 H22 N4 O
SMILES:O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C
InChi:InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)
定義日:2004-01-07
最終更新日:2011-06-04
識別子（ID）:9-amino-N-[3-(dimethylamino)propyl]acridine-4-carboxamide
MKH
MKH
表記:1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione
組成式:C24 H27 N3 O5 S
SMILES:O=S(=O)(N3C(C(O)(c1ccccc1)c2ccccc2)CCC3)CCCN4C=CC(=O)NC4=O
InChi:InChI=1S/C24H27N3O5S/c28-22-14-17-26(23(29)25-22)15-8-18-33(31,32)27-16-7-13-21(27)24(30,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14,17,21,30H,7-8,13,15-16,18H2,(H,25,28,29)/t21-/m1/s1
定義日:2010-11-25
最終更新日:2011-06-04
識別子（ID）:1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione
MLC
MLC
表記:MALONYL-COENZYME A
組成式:C24 H38 N7 O19 P3 S
SMILES:O=C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name)
MLM
MLM
表記:3-AMINO-3-OXOPROPANOIC ACID
組成式:C3 H5 N O3
SMILES:O=C(N)CC(=O)O
InChi:InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)
定義日:2002-12-18
最終更新日:2011-06-04
識別子（ID）:3-amino-3-oxopropanoic acid
MLP
MLP
表記:1-AMINOCYCLOPROPYLPHOSPHONATE
組成式:C3 H7 N O3 P
SMILES:[O-]P(=O)(O)C1(N)CC1
InChi:InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/p-1
定義日:2003-12-12
最終更新日:2011-06-04
識別子（ID）:hydrogen (1-aminocyclopropyl)phosphonate
MMD
MMD
表記:5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
組成式:C15 H19 N7 O3 S
SMILES:O=S(=O)(N3c2nc(nc(c1cnc(nc1)N)c2CC3)N4CCOCC4)C
InChi:InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
定義日:2010-10-29
最終更新日:2011-06-04
識別子（ID）:5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
MMG
MMG
表記:4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
組成式:C20 H14 N2 O2
SMILES:O=C(O)c4ccc(c2c1cc(cnc1nc2)c3ccccc3)cc4
InChi:InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
定義日:2009-05-14
最終更新日:2011-06-04
識別子（ID）:4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
7CL
7CL
表記:1-chloropentane
組成式:C5 H11 Cl
SMILES:ClCCCCC
InChi:InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
定義日:2009-02-16
最終更新日:2011-06-04
識別子（ID）:1-chloropentane
MMT
MMT
表記:5'-O-(DIMETHYLAMINO)-THYMIDINE
組成式:C12 H19 N3 O5
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CON(C)C
InChi:InChI=1S/C12H19N3O5/c1-7-5-15(12(18)13-11(7)17)10-4-8(16)9(20-10)6-19-14(2)3/h5,8-10,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9+,10+/m0/s1
定義日:1999-09-02
最終更新日:2011-06-04
識別子（ID）:5'-O-(dimethylamino)thymidine
7CS
7CS
表記:(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
組成式:C16 H19 N3 O2
SMILES:O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4
InChi:InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+
定義日:2007-07-11
最終更新日:2011-06-04
識別子（ID）:(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
MMU
MMU
表記:1,3-dimethylurea
組成式:C3 H8 N2 O
SMILES:O=C(NC)NC
InChi:InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
定義日:2009-10-07
最終更新日:2011-06-04
識別子（ID）:1,3-dimethylurea
MMY
MMY
表記:5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
組成式:C19 H20 N8 O
SMILES:n1c4c(c(nc1N2CCOCC2)c3cnc(nc3)N)CCN4c5cccnc5
InChi:InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23)
定義日:2010-10-29
最終更新日:2011-06-04
識別子（ID）:5-[2-(morpholin-4-yl)-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
7DA
7DA
表記:7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
組成式:C11 H15 N4 O6 P
SMILES:O=P(O)(O)OCC3OC(n2ccc1c(ncnc12)N)CC3O
InChi:InChI=1S/C11H15N4O6P/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+,9+/m0/s1
定義日:2004-08-08
最終更新日:2011-06-04
識別子（ID）:7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
MNB
MNB
表記:5-MERCAPTO-2-NITRO-BENZOIC ACID
組成式:C7 H5 N O4 S
SMILES:O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
InChi:InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
定義日:2000-06-08
最終更新日:2011-06-04
識別子（ID）:2-nitro-5-sulfanylbenzoic acid
MNG
MNG
表記:MENOGARIL
組成式:C28 H31 N O10
SMILES:O=C4c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5cc6c(c(O)c45)C(OC)CC(O)(C)C6
InChi:InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
7DE
7DE
表記:3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
組成式:C14 H15 N3 O4
SMILES:[O-][N+](=O)c1cccc(c1)n2nc(c(c2C)C(=O)OCC)C
InChi:InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
定義日:2004-11-30
最終更新日:2011-06-04
識別子（ID）:ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
MNM
MNM
表記:(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE
組成式:C6 H13 N O4
SMILES:OC1C(CNC(O)C1O)CO
InChi:InChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6+/m1/s1
定義日:2005-08-31
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
MNO
MNO
表記:(3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE
組成式:C26 H32 N4 O7 S
SMILES:O=C(NC(C=O)CC(=O)NS(=O)(=O)C)C3N(C(=O)C(NC(=O)c2cc1ccccc1cc2)C(C)C)CCC3
InChi:InChI=1S/C26H32N4O7S/c1-16(2)23(28-24(33)19-11-10-17-7-4-5-8-18(17)13-19)26(35)30-12-6-9-21(30)25(34)27-20(15-31)14-22(32)29-38(3,36)37/h4-5,7-8,10-11,13,15-16,20-21,23H,6,9,12,14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t20-,21-,23-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-(naphthalen-2-ylcarbonyl)-L-valyl-N-{(1S)-1-formyl-3-[(methylsulfonyl)amino]-3-oxopropyl}-L-prolinamide
MNP
MNP
表記:2-(3-NITROPHENYL)ACETIC ACID
組成式:C8 H7 N O4
SMILES:O=C(O)Cc1cccc(c1)[N+]([O-])=O
InChi:InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3-nitrophenyl)acetic acid
MNQ
MNQ
表記:M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
組成式:C8 H11 Be F3 N2 O9 P2
SMILES:O[P](=O)(OCCNc1cccc(c1)[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-3-1-2-7(6-8)9-4-5-18-21(16,17)19-20(13,14)15
定義日:1999-09-22
最終更新日:2011-06-04
識別子（ID）:trifluoro-[hydroxy-[hydroxy-[2-[(3-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium
MNX
MNX
表記:1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE
組成式:C13 H7 N O6
SMILES:[O-][N+](=O)c2ccc(O)c1C(=O)c3c(O)cccc3Oc12
InChi:InChI=1S/C13H7NO6/c15-7-2-1-3-9-10(7)12(17)11-8(16)5-4-6(14(18)19)13(11)20-9/h1-5,15-16H
定義日:2002-07-15
最終更新日:2011-06-04
識別子（ID）:1,8-dihydroxy-4-nitro-9H-xanthen-9-one
MNY
MNY
表記:5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE
組成式:C14 H10 N2 O4
SMILES:O=C2c1c(c(N)ccc1N)C(=O)c3c2c(O)ccc3O
InChi:InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2
定義日:2002-07-15
最終更新日:2011-06-04
識別子（ID）:1,4-diamino-5,8-dihydroxyanthracene-9,10-dione

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon