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
N2E
N2E
表記:~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
組成式:C23 H18 F N7 O2
SMILES:Cc1oc(c(C)n1)C(=O)Nc2ccc(F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C
InChi:InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)
定義日:2019-11-07
最終更新日:2020-08-21
公開日:2020-08-26
識別子（ID）:~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
YJM
YJM
表記:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
組成式:C6 H13 N O11 S2
SMILES:C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
別名:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
定義日:2016-08-25
最終更新日:2020-08-11
公開日:2018-02-21
識別子（ID）:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
TKG
TKG
表記:1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
組成式:C10 H9 N5 O3
SMILES:C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O
InChi:InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18)
定義日:2020-03-24
最終更新日:2020-07-31
公開日:2020-08-05
識別子（ID）:N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
V7A
V7A
表記:Sarecycline
組成式:C24 H29 N3 O8
SMILES:c1(ccc(O)c2c1CC3C(C2=O)=C(O)C4(C(C3)C(C(=C(C4=O)C(N)=O)O)N(C)C)O)CN(C)OC
InChi:InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1
定義日:2020-07-10
最終更新日:2020-07-31
公開日:2020-08-05
識別子（ID）:(4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-{[methoxy(methyl)amino]methyl}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
NDX
NDX
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
組成式:C44 H66 N9 O19 P3
SMILES:CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN(C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O
InChi:InChI=1S/C44H66N9O19P3/c1-42(2,3)51-39(59)26-8-7-24-21-6-9-29-44(5,25(21)10-12-43(24,26)4)14-22(38(58)50-29)20-11-13-52(15-23(20)36(46)57)40-33(56)31(54)27(69-40)16-67-74(63,64)72-75(65,66)68-17-28-32(55)34(71-73(60,61)62)41(70-28)53-19-49-30-35(45)47-18-48-37(30)53/h11,13,15,18-22,24-29,31-34,40-41,54-56H,6-10,12,14,16-17H2,1-5H3,(H2,46,57)(H,50,58)(H,51,59)(H,63,64)(H,65,66)(H2,45,47,48)(H2,60,61,62)/t20-,21+,22+,24+,25+,26-,27-,28-,29-,31-,32-,33-,34-,40-,41-,43+,44-/m1/s1
定義日:2020-04-15
最終更新日:2020-07-31
公開日:2020-08-05
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
QB8
QB8
表記:~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
組成式:C20 H17 N7 O
SMILES:CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1
InChi:InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28)
定義日:2020-06-02
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
QBE
QBE
表記:~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
組成式:C20 H21 N7 O
SMILES:CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C
InChi:InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28)
定義日:2020-06-02
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
FK3
FK3
表記:(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
組成式:C18 H29 N3 O4
SMILES:CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3
InChi:InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1
定義日:2020-05-28
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
N14
N14
表記:5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
組成式:C23 H29 F N8
SMILES:C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)F)C(C5)C
InChi:InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1
定義日:2019-04-29
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
N1A
N1A
表記:5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
組成式:C23 H29 F N8
SMILES:C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)C(C)CC5
InChi:InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1
定義日:2019-04-29
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
N1J
N1J
表記:N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
組成式:C25 H31 F N8
SMILES:C6C1(CN(C1)c5ccc(Nc4ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC
InChi:InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1
定義日:2019-04-29
最終更新日:2020-07-24
公開日:2020-07-29
識別子（ID）:N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
GYV
GYV
表記:2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose
組成式:C9 H16 N2 O7
SMILES:O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N
InChi:InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1
別名:2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE
定義日:2010-01-26
最終更新日:2020-07-18
識別子（ID）:2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose
ZCD
ZCD
表記:alpha-D-idopyranose
組成式:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1
別名:alpha-D-idose
定義日:2012-12-17
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:alpha-D-idopyranose
TGY
TGY
表記:1-deoxy-alpha-D-tagatopyranose
組成式:C6 H12 O5
SMILES:C1(O)C(O)C(C(O)(C)OC1)O
InChi:InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
別名:1-deoxy-alpha-D-tagatose
定義日:2015-03-26
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:1-deoxy-alpha-D-tagatopyranose
5KQ
5KQ
表記:(6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
組成式:C13 H22 N2 O9
SMILES:CC(=O)NC1C(OC(CC1O)(O)C(O)=O)C(O)C(CNC(=O)C)O
InChi:InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,9+,10-,11+,13+/m0/s1
別名:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
定義日:2015-10-14
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:(6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid
RF5
RF5
表記:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
組成式:C5 H10 F O7 P
SMILES:FC1C(O)C(OC1O)COP(=O)(O)O
InChi:InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1
別名:Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:2008-07-30
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose
QMZ
QMZ
表記:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
組成式:C20 H23 N5 O4
SMILES:COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3ccnc4ncnn34
InChi:InChI=1S/C20H23N5O4/c1-27-16-9-14(10-17(28-2)18(16)29-3)19(26)24-8-4-5-13(11-24)15-6-7-21-20-22-12-23-25(15)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3/t13-/m0/s1
定義日:2020-07-06
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
R1P
R1P
表記:1-O-phosphono-alpha-D-ribofuranose
組成式:C5 H11 O8 P
SMILES:O=P(OC1OC(C(O)C1O)CO)(O)O
InChi:InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
別名:RIBOSE-1-PHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:1-O-phosphono-alpha-D-ribofuranose
R1X
R1X
表記:1,4-anhydro-D-ribitol
組成式:C5 H10 O4
SMILES:OCC1OCC(O)C1O
InChi:InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1
別名:1-deoxyribose
定義日:2008-10-03
最終更新日:2020-07-17
識別子（ID）:1,4-anhydro-D-ribitol
SOE
SOE
表記:alpha-L-sorbopyranose
組成式:C6 H12 O6
SMILES:OC1C(O)(OCC(O)C1O)CO
InChi:InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
別名:alpha-L-sorbose
定義日:2010-05-14
最終更新日:2020-07-17
識別子（ID）:alpha-L-sorbopyranose
RGG
RGG
表記:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
組成式:C9 H18 O8
SMILES:O(CC(O)CO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
別名:(2R)-glyceryl-beta-D-galactopyranoside
定義日:2009-02-19
最終更新日:2020-07-17
識別子（ID）:(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside
RUU
RUU
表記:alpha-L-ribulofuranose
組成式:C5 H10 O5
SMILES:OCC1(O)OCC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
別名:alpha-L-ribulose
定義日:2013-12-05
最終更新日:2020-07-17
公開日:2014-05-28
識別子（ID）:alpha-L-ribulofuranose
RHA
RHA
表記:6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose
組成式:C6 H13 O8 P
SMILES:O=P(OC1OC(C(O)C(O)C1O)C)(O)O
InChi:InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1
別名:6-DEOXY-MANNOSE-1'-PHOSPHATE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:6-deoxy-1-O-phosphono-alpha-L-mannopyranose
5N6
5N6
表記:9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
組成式:C13 H21 N O10
SMILES:CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)COC(C)=O)C(O)=O
InChi:InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1
別名:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid
定義日:2015-10-27
最終更新日:2020-07-17
公開日:2016-03-23
識別子（ID）:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid
XXM
XXM
表記:3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
組成式:C5 H10 O5
SMILES:OCC1(C(C(OC1)O)O)O
InChi:InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
別名:alpha-D-apiose
定義日:2016-02-24
最終更新日:2020-07-17
公開日:2016-04-20
識別子（ID）:(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon