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
2TL
2TL
表記:D-allothreonine
組成式:C4 H9 N O3
SMILES:O=C(O)C(N)C(O)C
InChi:InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:D-allothreonine
HSX
HSX
表記:5-O-phosphono-alpha-D-ribofuranose
組成式:C5 H11 O8 P
SMILES:O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
別名:5-O-phosphono-alpha-D-ribose
定義日:2009-01-16
最終更新日:2024-09-27
識別子（ID）:5-O-phosphono-alpha-D-ribofuranose
HTN
HTN
表記:(3R)-3-hydroxy-N-methyl-D-asparagine
組成式:C5 H10 N2 O4
SMILES:O=C(NC)C(O)C(C(=O)O)N
InChi:InChI=1S/C5H10N2O4/c1-7-4(9)3(8)2(6)5(10)11/h2-3,8H,6H2,1H3,(H,7,9)(H,10,11)/t2-,3-/m1/s1
定義日:2008-06-03
最終更新日:2024-09-27
識別子（ID）:(3R)-3-hydroxy-N-methyl-D-asparagine
HTY
HTY
表記:(betaR)-beta-hydroxy-D-tyrosine
組成式:C9 H11 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1
定義日:2002-09-02
最終更新日:2024-09-27
識別子（ID）:(betaR)-beta-hydroxy-D-tyrosine
2YS
2YS
表記:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
組成式:C18 H37 Cl N4 O3
SMILES:O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C
InChi:InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1
別名:D-VAL-LEU-LYS-chloromethylketone
定義日:2014-04-29
最終更新日:2024-09-27
公開日:2014-09-03
識別子（ID）:D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
HZ6
HZ6
表記:1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one
組成式:C15 H22 N6 O2
SMILES:CCC(=O)N1CC(C1)Oc1nn(c2ncnc(N)c21)C(C)(C)C
InChi:InChI=1S/C15H22N6O2/c1-5-10(22)20-6-9(7-20)23-14-11-12(16)17-8-18-13(11)21(19-14)15(2,3)4/h8-9H,5-7H2,1-4H3,(H2,16,17,18)
定義日:2023-07-24
最終更新日:2024-09-27
公開日:2024-02-14
識別子（ID）:1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one
I22
I22
表記:D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE
組成式:C7 H15 O10 P
SMILES:O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
InChi:InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
別名:7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE
定義日:2006-09-11
最終更新日:2024-09-27
識別子（ID）:7-O-phosphono-D-altro-hept-2-ulose
I6T
I6T
表記:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
組成式:C29 H34 Cl N5 O3
SMILES:CN1CCCC1COc1nc2CN(CCc2c(n1)N1CCC(C=O)C(O)C1)c1cccc2cccc(Cl)c21
InChi:InChI=1S/C29H34ClN5O3/c1-33-12-4-7-21(33)18-38-29-31-24-15-34(25-9-3-6-19-5-2-8-23(30)27(19)25)14-11-22(24)28(32-29)35-13-10-20(17-36)26(37)16-35/h2-3,5-6,8-9,17,20-21,26,37H,4,7,10-16,18H2,1H3/t20-,21-,26-/m0/s1
別名:(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one
定義日:2022-01-20
最終更新日:2024-09-27
公開日:2022-08-03
識別子（ID）:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
I7H
I7H
表記:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
組成式:C31 H31 Cl F N5 O3
SMILES:Clc1cccc2cccc(c12)c1ncc2c(nc(nc2N2CCC(C=O)C(O)C2)OCC23CCCN3CCC2)c1F
InChi:InChI=1S/C31H31ClFN5O3/c32-23-8-2-6-19-5-1-7-21(25(19)23)27-26(33)28-22(15-34-27)29(37-14-9-20(17-39)24(40)16-37)36-30(35-28)41-18-31-10-3-12-38(31)13-4-11-31/h1-2,5-8,15,17,20,24,40H,3-4,9-14,16,18H2/t20-,24-/m0/s1
別名:(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one
定義日:2022-01-20
最終更新日:2024-09-27
公開日:2022-08-03
識別子（ID）:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
INC
INC
表記:2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER
組成式:C9 H17 N O4
SMILES:O=C(N(O)C(C(=O)OC)CC(C)C)C
InChi:InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:methyl N-acetyl-N-hydroxy-D-leucinate
ING
ING
表記:D-[(AMINO)CARBONYL]PHENYLALANINE
組成式:C10 H12 N2 O3
SMILES:O=C(O)C(NC(=O)N)Cc1ccccc1
InChi:InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1
定義日:2000-11-21
最終更新日:2024-09-27
識別子（ID）:N-carbamoyl-L-phenylalanine
IOY
IOY
表記:P-IODO-D-PHENYLALANINE
組成式:C9 H10 I N O2
SMILES:Ic1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
別名:4-IODOPHENYLALANINE
定義日:2004-09-14
最終更新日:2024-09-27
識別子（ID）:4-iodo-D-phenylalanine
IPD
IPD
表記:D-MYO-INOSITOL-1-PHOSPHATE
組成式:C6 H11 O9 P
SMILES:O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
44S
44S
表記:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
組成式:C6 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
別名:tagatose-6-phosphate, bound form
定義日:2015-02-11
最終更新日:2024-09-27
公開日:2016-01-20
識別子（ID）:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
3DR
3DR
表記:1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
組成式:C5 H11 O6 P
SMILES:O=P(OCC1OCCC1O)(O)O
InChi:InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
別名:ABASIC DIDEOXYRIBOSE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
3GE
3GE
表記:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
組成式:C9 H15 N O6 S
SMILES:O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
定義日:2014-08-15
最終更新日:2024-09-27
公開日:2015-01-21
識別子（ID）:N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
3HD
3HD
表記:1,5-anhydro-3-O-methyl-D-mannitol
組成式:C7 H14 O5
SMILES:O(C)C1C(O)C(OCC1O)CO
InChi:InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
別名:3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
定義日:2006-06-30
最終更新日:2024-09-27
識別子（ID）:1,5-anhydro-3-O-methyl-D-mannitol
3MY
3MY
表記:3-chloro-D-tyrosine
組成式:C9 H10 Cl N O3
SMILES:Clc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
定義日:2009-03-27
最終更新日:2024-09-27
識別子（ID）:3-chloro-D-tyrosine
00C
00C
表記:3-sulfo-D-alanine
組成式:C3 H7 N O5 S
SMILES:O=C(O)C(N)CS(=O)(=O)O
InChi:InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
別名:D-Cysteine sulfinic acid
定義日:2008-12-24
最終更新日:2024-09-27
識別子（ID）:3-sulfo-D-alanine
00Q
00Q
表記:D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide
組成式:C27 H35 N7 O3 S
SMILES:O=C(N1CCCC1C(=O)NC(CCCNC(=[N@H])N)C(O)c2nc3ccccc3s2)C(N)Cc4ccccc4
InChi:InChI=1S/C27H35N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21,23,35H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20+,21+,23+/m1/s1
別名:RWJ-30353
定義日:2010-10-28
最終更新日:2024-09-27
識別子（ID）:D-phenylalanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-prolinamide
049
049
表記:2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol
組成式:C14 H19 N O3
SMILES:O=C(NC(C(O)C1(OC1)C)Cc2ccccc2)C
InChi:InChI=1S/C14H19NO3/c1-10(16)15-12(13(17)14(2)9-18-14)8-11-6-4-3-5-7-11/h3-7,12-13,17H,8-9H2,1-2H3,(H,15,16)/t12-,13+,14+/m0/s1
定義日:2011-11-18
最終更新日:2024-09-27
識別子（ID）:2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol
04C
04C
表記:1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
組成式:C31 H44 N4 O7
SMILES:O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(C)CO)Cc2ccc(OC)cc2)C)CN3CCOCC3
InChi:InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1
定義日:2011-12-29
最終更新日:2024-09-27
識別子（ID）:1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol
060
060
表記:S-methyl-D-cysteine
組成式:C4 H9 N O2 S
SMILES:O=C(O)C(N)CSC
InChi:InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
定義日:2013-01-25
最終更新日:2024-09-27
公開日:2013-03-20
識別子（ID）:S-methyl-D-cysteine
07E
07E
表記:(3S)-3-hydroxybutyl beta-D-xylopyranoside
組成式:C9 H18 O6
SMILES:O(CCC(O)C)C1OCC(O)C(O)C1O
InChi:InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1
別名:(3S)-3-hydroxybutyl beta-D-xyloside
定義日:2011-09-23
最終更新日:2024-09-27
公開日:2017-07-12
識別子（ID）:(3S)-3-hydroxybutyl beta-D-xylopyranoside
4N3
4N3
表記:N-octanoyl-D-valine
組成式:C13 H25 N O3
SMILES:N(C(C(C)C)C(=O)O)C(=O)CCCCCCC
InChi:InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1
定義日:2016-05-23
最終更新日:2024-09-27
公開日:2016-09-28
識別子（ID）:N-octanoyl-D-valine

226262

件を2024-10-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon