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
✖
GOU
GOU
表記:6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
組成式:C12 H13 Cl N6 O
SMILES:CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:InChI=1S/C12H13ClN6O/c1-6(2)8-3-7(20-18-8)4-19-5-15-9-10(13)16-12(14)17-11(9)19/h3,5-6H,4H2,1-2H3,(H2,14,16,17)
定義日:2020-09-16
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
GQ0
GQ0
表記:9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
組成式:C13 H15 Cl N6 O
SMILES:CC(C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:InChI=1S/C13H15ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h4,6H,5H2,1-3H3,(H2,15,17,18)
定義日:2020-09-16
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:9-[(3-~{tert}-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
GQ3
GQ3
表記:9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
組成式:C13 H17 Cl N6 O
SMILES:CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)C1
InChi:InChI=1S/C13H17ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h6-7H,4-5H2,1-3H3,(H2,15,17,18)/t7-/m1/s1
定義日:2020-09-16
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:9-[(3-~{tert}-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
GQ6
GQ6
表記:6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
組成式:C13 H12 Cl N5
SMILES:Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1
InChi:InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(14)17-13(15)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18)
定義日:2020-09-16
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
GQ9
GQ9
表記:6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
組成式:C15 H11 Cl N6 O
SMILES:Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
InChi:InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)
定義日:2020-09-16
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
GUC
GUC
表記:N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
組成式:C23 H18 F2 N6 O
SMILES:Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4c(F)nccc4C(=N3)N)C#N
InChi:InChI=1S/C23H18F2N6O/c1-12-7-13(10-26)11-29-19(12)22(32)30-14-3-4-18(24)17(8-14)23(2)9-16-15(21(27)31-23)5-6-28-20(16)25/h3-8,11H,9H2,1-2H3,(H2,27,31)(H,30,32)/t23-/m0/s1
定義日:2020-09-24
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}-[3-[(3~{S})-1-azanyl-5-fluoranyl-3-methyl-4~{H}-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
XNG
XNG
表記:4-(decanoylamino)butanoic acid
組成式:C14 H27 N O3
SMILES:C(CCC(=O)O)NC(CCCCCCCCC)=O
InChi:InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)
定義日:2020-12-22
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:4-(decanoylamino)butanoic acid
1AI
1AI
表記:~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
組成式:C21 H22 N4 O
SMILES:Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C
InChi:InChI=1S/C21H22N4O/c1-15-7-3-5-9-17(15)13-24-20-19(22-11-12-23-20)21(26)25-14-18-10-6-4-8-16(18)2/h3-12H,13-14H2,1-2H3,(H,23,24)(H,25,26)
定義日:2021-06-09
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
0W4
0W4
表記:~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
組成式:C19 H16 Cl2 N4 O
SMILES:Clc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3Cl
InChi:InChI=1S/C19H16Cl2N4O/c20-15-7-3-1-5-13(15)11-24-18-17(22-9-10-23-18)19(26)25-12-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,23,24)(H,25,26)
定義日:2021-06-09
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
0X7
0X7
表記:3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
組成式:C13 H14 N4 O
SMILES:Cc1ccccc1CNc2nccnc2C(N)=O
InChi:InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)8-17-13-11(12(14)18)15-6-7-16-13/h2-7H,8H2,1H3,(H2,14,18)(H,16,17)
定義日:2021-06-09
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
0YI
0YI
表記:3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
組成式:C12 H11 Cl N4 O
SMILES:NC(=O)c1nccnc1NCc2ccccc2Cl
InChi:InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)
定義日:2021-06-09
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
0YK
0YK
表記:7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
組成式:C19 H23 N3 O3 S
SMILES:CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3
InChi:InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3
定義日:2021-06-17
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:9-(4-cyclohexyloxyphenyl)-7-methyl-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine 2,2-dioxide
QPK
QPK
表記:3-chloranyl-2,6-bis(fluoranyl)phenol
組成式:C6 H3 Cl F2 O
SMILES:Oc1c(F)ccc(Cl)c1F
InChi:InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
定義日:2020-07-17
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:3-chloranyl-2,6-bis(fluoranyl)phenol
QPN
QPN
表記:1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
組成式:C15 H16 F N3 O
SMILES:CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
InChi:InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3
定義日:2020-07-17
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
QTB
QTB
表記:(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
組成式:C18 H28 O
SMILES:C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC=CC(C)=O
InChi:InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,15,17H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+/t15-,17+/m1/s1
定義日:2020-08-06
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
OLQ
OLQ
表記:2,6-difluoro-3-methoxybenzamide
組成式:C8 H7 F2 N O2
SMILES:COc1ccc(F)c(C(N)=O)c1F
InChi:InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)
別名:2,6-bis(fluoranyl)-3-methoxy-benzamide
定義日:2020-03-20
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:2,6-bis(fluoranyl)-3-methoxy-benzamide
OM8
OM8
表記:3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
組成式:C14 H10 Cl F2 N O2
SMILES:NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
InChi:InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)
定義日:2020-03-20
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
OMW
OMW
表記:2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
組成式:C15 H10 F5 N O2
SMILES:NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F
InChi:InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
定義日:2020-03-20
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
TEQ
TEQ
表記:5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
組成式:C21 H19 F N6
SMILES:Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45
InChi:InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1
別名:5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
定義日:2020-12-21
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
P3C
P3C
表記:TRICHLOROPLATINATE
組成式:Cl3 Pt
SMILES:Cl[Pt-](Cl)Cl
InChi:InChI=1S/3ClH.Pt/h3*1H
定義日:2006-02-15
最終更新日:2021-07-23
公開日:2021-07-28
識別子（ID）:trichloroplatinate(1-)
PDU
PDU
表記:5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
組成式:C12 H15 N2 O8 P
SMILES:CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
InChi:InChI=1S/C12H15N2O8P/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
定義日:1999-07-08
最終更新日:2021-07-21
識別子（ID）:[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-prop-1-ynyl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
ZQS
ZQS
表記:(4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
組成式:C14 H15 N5 S2
SMILES:NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1
InChi:InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1
定義日:2021-05-21
最終更新日:2021-07-16
公開日:2021-07-21
識別子（ID）:(4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
ZR7
ZR7
表記:N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
組成式:C22 H20 F2 N8 O2 S
SMILES:COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1
InChi:InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1
定義日:2021-05-24
最終更新日:2021-07-16
公開日:2021-07-21
識別子（ID）:N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
V91
V91
表記:N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide
組成式:C16 H18 N4 O2 S2
SMILES:C(C1CCCN1)(Nc4ccc(C(N2CC(C2)c3nccs3)=O)s4)=O
InChi:InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)/t11-/m0/s1
定義日:2020-07-20
最終更新日:2021-07-16
公開日:2021-07-21
識別子（ID）:N-{5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl}-L-prolinamide
V9Z
V9Z
表記:N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
組成式:C27 H30 N2 O3
SMILES:CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3
InChi:InChI=1S/C27H30N2O3/c1-19-15-23(16-20(2)26(19)32-4)27(31)29(18-25(30)28-3)17-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,24H,17-18H2,1-4H3,(H,28,30)
別名:N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide
定義日:2021-05-03
最終更新日:2021-07-16
公開日:2021-07-21
識別子（ID）:~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide

234785

件を2025-04-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon