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
RNA
RNA
表記:4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
組成式:C16 H14 N2 O4 S2
SMILES:O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
InChi:InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
別名:(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE
定義日:2006-08-02
最終更新日:2020-06-17
識別子（ID）:4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
RNB
RNB
表記:3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
組成式:C18 H23 Cl O3
SMILES:Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C
InChi:InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+
別名:Colletochlorin B
定義日:2013-01-31
最終更新日:2020-06-17
公開日:2013-03-13
識別子（ID）:3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
5ID
5ID
表記:(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
組成式:C11 H13 I N4 O4
SMILES:Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
別名:5-IODOTUBERCIDIN
定義日:2005-10-16
最終更新日:2020-06-17
識別子（ID）:5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
RNO
RNO
表記:(R)-PARA-NITROSTYRENE OXIDE
組成式:C8 H7 N O3
SMILES:[O-][N+](=O)c1ccc(cc1)C2OC2
InChi:InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
別名:(2R)-2-(4-NITROPHENYL)OXIRANE
定義日:2005-05-20
最終更新日:2020-06-17
識別子（ID）:(2R)-2-(4-nitrophenyl)oxirane
RNR
RNR
表記:3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine
組成式:C27 H31 F2 N5 O2
SMILES:O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5
InChi:InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1
別名:N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}
定義日:2010-07-27
最終更新日:2020-06-17
識別子（ID）:N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}
RO2
RO2
表記:3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL
組成式:C24 H23 N7 O
SMILES:n2c(N1CCN(C)CC1)ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6
InChi:InChI=1S/C24H23N7O/c1-30-9-11-31(12-10-30)21-8-7-19-24(28-21)29-23(26-19)16-5-6-18-20(14-16)27-22(25-18)15-3-2-4-17(32)13-15/h2-8,13-14,32H,9-12H2,1H3,(H,25,27)(H,26,28,29)
別名:META-OH(N) HOECHST
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:3-{6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl}phenol
RO8
RO8
表記:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
組成式:C10 H7 Br Cl N3 O3 S2
SMILES:BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2
InChi:InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
別名:RO5062408
定義日:2011-01-17
最終更新日:2020-06-17
識別子（ID）:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
ROA
ROA
表記:(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
組成式:C18 H16 O8
SMILES:O=C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2
InChi:InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
別名:Rosmarinic acid
定義日:2011-09-02
最終更新日:2020-06-17
識別子（ID）:(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
ROL
ROL
表記:ROLIPRAM
組成式:C16 H21 N O3
SMILES:O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChi:InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
別名:(4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE
定義日:2001-08-01
最終更新日:2020-06-17
識別子（ID）:(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
ROV
ROV
表記:nevanimibe
組成式:C27 H39 N3 O
SMILES:C(C)(C)c1c(c(C(C)C)ccc1)NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C
InChi:InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
別名:N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea
定義日:2020-02-18
最終更新日:2020-06-17
公開日:2020-05-13
識別子（ID）:N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea
RP1
RP1
表記:6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL
組成式:C10 H12 N5 O5 P S
SMILES:S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
InChi:InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1
別名:RP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE
定義日:2002-12-13
最終更新日:2020-06-17
識別子（ID）:(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
RP2
RP2
表記:(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
組成式:C10 H11 Br N5 O5 P S
SMILES:Brc2nc1c(ncnc1n2C4OC3COP(=S)(OC3C4O)O)N
InChi:InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1
別名:8-Bromoadenosine-3',5'-cyclic monophosphorothioate
定義日:2010-11-21
最終更新日:2020-06-17
識別子（ID）:(2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
9KL
9KL
表記:(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
組成式:C16 H14 O3
SMILES:c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2
InChi:InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
別名:Dexketoprofen
定義日:2018-05-21
最終更新日:2020-06-17
公開日:2019-03-13
識別子（ID）:(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
9KU
9KU
表記:5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
組成式:C21 H19 N3 O6
SMILES:C4(NC(C1CCCN1C(=O)COc3cccc2ccccc23)=NC(=C4O)C(O)=O)=O
InChi:InChI=1S/C21H19N3O6/c25-16(11-30-15-9-3-6-12-5-1-2-7-13(12)15)24-10-4-8-14(24)19-22-17(21(28)29)18(26)20(27)23-19/h1-3,5-7,9,14,26H,4,8,10-11H2,(H,28,29)(H,22,23,27)/t14-/m0/s1
別名:SRI-29789
定義日:2017-07-11
最終更新日:2020-06-17
公開日:2018-01-03
識別子（ID）:5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
MVD
MVD
表記:2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3
組成式:C28 H46 O3
SMILES:OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C
InChi:InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
別名:9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E)
定義日:2006-06-20
最終更新日:2020-06-17
識別子（ID）:(1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol
MVL
MVL
表記:(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
組成式:C8 H12 N2 O4
SMILES:n1ccn2c1C(O)C(O)C(O)C2CO
InChi:InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
別名:Mannoimidazole
定義日:2008-01-25
最終更新日:2020-06-17
識別子（ID）:(5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
MWP
MWP
表記:1-benzothiophen-6-amine 1,1-dioxide
組成式:C8 H7 N O2 S
SMILES:O=S2(=O)c1cc(ccc1C=C2)N
InChi:InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
別名:6-amino-benzothiophene-1,1-dione
定義日:2012-03-28
最終更新日:2020-06-17
公開日:2013-01-25
識別子（ID）:1-benzothiophen-6-amine 1,1-dioxide
MXM
MXM
表記:4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
組成式:C14 H13 N3 O4 S2
SMILES:O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
InChi:InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
別名:Meloxicam
定義日:2013-08-09
最終更新日:2020-06-17
公開日:2014-01-22
識別子（ID）:4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
MXN
MXN
表記:(2R)-hydroxy(phenyl)ethanenitrile
組成式:C8 H7 N O
SMILES:N#CC(O)c1ccccc1
InChi:InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1
別名:(R)-mandelonitrile
定義日:2009-02-26
最終更新日:2020-06-17
識別子（ID）:(2R)-hydroxy(phenyl)ethanenitrile
MXP
MXP
表記:Myxopyronin B
組成式:C23 H31 N O6
SMILES:O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C
InChi:InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+
別名:methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
定義日:2008-10-16
最終更新日:2020-06-17
識別子（ID）:methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
MYC
MYC
表記:3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
組成式:C15 H10 O8
SMILES:O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
別名:2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
定義日:2000-10-04
最終更新日:2020-06-17
識別子（ID）:3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
MYF
MYF
表記:5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
組成式:C15 H10 O7
SMILES:O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
別名:2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
定義日:2006-12-22
最終更新日:2020-06-17
識別子（ID）:5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
MYU
MYU
表記:3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
組成式:C15 H10 O8
SMILES:O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
InChi:InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
別名:2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE
定義日:2007-07-10
最終更新日:2020-06-17
識別子（ID）:2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one
MZ0
MZ0
表記:1H-imidazol-5-ylmethanol
組成式:C4 H6 N2 O
SMILES:OCc1cncn1
InChi:InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
別名:4(5)-(hydroxymethyl)imidazole
定義日:2012-10-26
最終更新日:2020-06-17
公開日:2013-10-23
識別子（ID）:1H-imidazol-5-ylmethanol
MZJ
MZJ
表記:1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
組成式:C25 H27 N5 O2
SMILES:n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4
InChi:InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
別名:Evobrutinib
定義日:2019-04-24
最終更新日:2020-06-17
公開日:2019-08-14
識別子（ID）:1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one

224572

件を2024-09-04に公開中

PDB statisticsPDBj update infoContact PDBjnumon