Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
DIV
DIV
表記:D-ISOVALINE
組成式:C5 H11 N O2
SMILES:O=C(O)C(N)(C)CC
InChi:InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:D-isovaline
DIX
DIX
表記:METHYL(CYCLOPENTYL-PROPYL)AMINE
組成式:C9 H19 N
SMILES:N(CCCC1CCCC1)C
InChi:InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-cyclopentyl-N-methylpropan-1-amine
DIY
DIY
表記:5-BUTYLPIPERIDINE
組成式:C9 H19 N
SMILES:N1CCCC(CCCC)C1
InChi:InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(3R)-3-butylpiperidine
DJ5
DJ5
表記:N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide
組成式:C27 H52 N3 O8 P
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC
InChi:InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1
定義日:2021-11-30
最終更新日:2024-09-27
公開日:2022-11-23
識別子（ID）:N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
2FG
2FG
表記:2-deoxy-2-fluoro-beta-D-galactopyranose
組成式:C6 H11 F O5
SMILES:FC1C(O)C(O)C(OC1O)CO
InChi:InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
別名:2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
定義日:2001-10-02
最終更新日:2024-09-27
識別子（ID）:2-deoxy-2-fluoro-beta-D-galactopyranose
DJD
DJD
表記:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
組成式:C12 H13 N5 O2
SMILES:NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
定義日:2017-10-26
最終更新日:2024-09-27
公開日:2019-10-02
識別子（ID）:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
2FP
2FP
表記:1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)
組成式:C6 H14 O12 P2
SMILES:O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1,6-di-O-phosphono-D-sorbose
DJK
DJK
表記:N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
組成式:C17 H13 Br N4 O
SMILES:Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C
InChi:InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
定義日:2006-08-02
最終更新日:2024-09-27
識別子（ID）:N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide
2FU
2FU
表記:BUT-2-ENEDIAL
組成式:C4 H4 O2
SMILES:O=CC=CC=O
InChi:InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2E)-but-2-enedial
DJT
DJT
表記:(2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
組成式:C25 H25 Cl F N3 O4 S
SMILES:O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5
InChi:InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
定義日:2010-10-15
最終更新日:2024-09-27
識別子（ID）:(4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
2GH
2GH
表記:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide
組成式:C14 H29 N2 O7 P
SMILES:O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C)(O)O
InChi:InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1
定義日:2013-10-16
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide
2GI
2GI
表記:1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C23 H27 N9 O
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CCc4ccccc4)nn3)c5c(N)ncnc25
InChi:InChI=1S/C23H27N9O/c1-2-19(33)30-11-6-9-17(13-30)32-23-20(22(24)25-15-26-23)21(28-32)18-14-31(29-27-18)12-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H2,24,25,26)/t17-/m1/s1
定義日:2021-06-15
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
DKA
DKA
表記:DECANOIC ACID
組成式:C10 H20 O2
SMILES:O=C(O)CCCCCCCCC
InChi:InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
定義日:2000-07-17
最終更新日:2024-09-27
識別子（ID）:decanoic acid
2GK
2GK
表記:(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
組成式:C11 H9 B O4 S
SMILES:O=C(O)C=Cc1c2ccccc2sc1B(O)O
InChi:InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+
定義日:2014-02-21
最終更新日:2024-09-27
公開日:2014-06-18
識別子（ID）:(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
2GX
2GX
表記:beta-phenyl-L-phenylalanine
組成式:C15 H15 N O2
SMILES:O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChi:InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
定義日:2013-02-15
最終更新日:2024-09-27
公開日:2016-10-26
識別子（ID）:beta-phenyl-L-phenylalanine
2HF
2HF
表記:2-fluoro-L-histidine
組成式:C6 H9 F N3 O2
SMILES:Fc1[nH+]c(cn1)CC(N)C(=O)O
InChi:InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1
定義日:2010-04-22
最終更新日:2024-09-27
識別子（ID）:3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine
DLE
DLE
表記:D-LEUCINE
組成式:C6 H13 N O2
SMILES:O=C(O)C(N)CC(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:D-leucine
2HR
2HR
表記:HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER
組成式:C16 H27 O3 P
SMILES:O=P(O)(OCC(Cc1ccccc1)C)CCCCCC
InChi:InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1
定義日:2005-02-23
最終更新日:2024-09-27
識別子（ID）:(2R)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate
2HS
2HS
表記:HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER
組成式:C16 H27 O3 P
SMILES:O=P(O)(OCC(Cc1ccccc1)C)CCCCCC
InChi:InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1
定義日:2005-02-23
最終更新日:2024-09-27
識別子（ID）:(2S)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate
DLS
DLS
表記:DI-ACETYL-LYSINE
組成式:C10 H18 N2 O4
SMILES:O=C(NC(C(=O)O)CCCCNC(=O)C)C
InChi:InChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m0/s1
定義日:2000-10-11
最終更新日:2024-09-27
識別子（ID）:N~2~,N~6~-diacetyl-L-lysine
2I0
2I0
表記:1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
組成式:C27 H29 N5 O4
SMILES:CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45
InChi:InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1
定義日:2023-07-11
最終更新日:2024-09-27
公開日:2024-06-05
識別子（ID）:1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
2I5
2I5
表記:1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C21 H22 Br N9 O2
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4cc(Br)ccc4O)c5c(N)ncnc25
InChi:InChI=1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1
定義日:2021-06-15
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
DM0
DM0
表記:N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine
組成式:C10 H22 N2 O2
SMILES:O=C(O)C(N(C)C)CCCCN(C)C
InChi:InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1
定義日:2008-03-25
最終更新日:2024-09-27
識別子（ID）:N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine
2I6
2I6
表記:1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one
組成式:C25 H25 N5 O4
SMILES:CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5
InChi:InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29)
定義日:2023-07-11
最終更新日:2024-09-27
公開日:2024-06-05
識別子（ID）:1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one
2I8
2I8
表記:3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide
組成式:C27 H25 N7 O2
SMILES:CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)c5ccccc5C
InChi:InChI=1S/C27H25N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h4-14,16H,3,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32)
定義日:2021-06-15
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon