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
PO3
PO3
表記:PHOSPHITE ION
組成式:O3 P
SMILES:[O-][PH2-]([O-])=O
InChi:InChI=1S/O3P/c1-4(2)3/q-3
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:dihydrido(dioxido)oxophosphate(1-)
NLJ
NLJ
表記:4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
組成式:C12 H12 N2 O6 S2
SMILES:c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
InChi:InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
定義日:2019-05-20
最終更新日:2024-09-27
公開日:2020-03-04
識別子（ID）:4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
VPI
VPI
表記:[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
組成式:C17 H34 N3 O8 P
SMILES:CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1
定義日:2023-08-02
最終更新日:2024-09-27
公開日:2023-11-01
識別子（ID）:[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
WKE
WKE
表記:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
組成式:C11 H20 N2 O7
SMILES:C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
InChi:InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
定義日:2023-05-17
最終更新日:2024-09-27
公開日:2024-04-03
識別子（ID）:(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
Y5O
Y5O
表記:2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
組成式:C13 H7 Cl N4 O3
SMILES:N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1
InChi:InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)
定義日:2023-01-05
最終更新日:2024-09-27
公開日:2024-04-17
識別子（ID）:2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
UVH
UVH
表記:4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
組成式:C14 H20 N2 O3 S
SMILES:CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
S2K
S2K
表記:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
組成式:C12 H21 N3 O7
SMILES:N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1
定義日:2020-11-06
最終更新日:2024-09-27
公開日:2021-10-06
識別子（ID）:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
VAY
VAY
表記:{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
組成式:C22 H24 Br N5 O7 S2
SMILES:C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O
InChi:InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1
定義日:2020-07-22
最終更新日:2024-09-27
公開日:2021-03-10
識別子（ID）:{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
UI5
UI5
表記:(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
組成式:C6 H13 N O3
SMILES:N[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
定義日:2023-09-05
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
YJ2
YJ2
表記:(2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE
組成式:C25 H25 Br Cl N3 O4 S
SMILES:O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5
InChi:InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
定義日:2011-05-18
最終更新日:2024-09-27
識別子（ID）:(4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide
NLM
NLM
表記:4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
組成式:C11 H9 Cl N2 O5 S2
SMILES:N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChi:InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
定義日:2019-05-20
最終更新日:2024-09-27
公開日:2020-03-04
識別子（ID）:4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
NLN
NLN
表記:NORLEUCINE AMIDE
組成式:C6 H14 N2 O
SMILES:O=C(N)C(N)CCCC
InChi:InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1
別名:2-AMINO-HEXANOIC ACID AMIDE
定義日:2000-02-02
最終更新日:2024-09-27
識別子（ID）:L-norleucinamide
ZKO
ZKO
表記:N-SUCCINYL-GLUTAMINE
組成式:C9 H14 N2 O6
SMILES:NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1
別名:5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-04-24
識別子（ID）:5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
N7K
N7K
表記:~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
組成式:C29 H25 N7 O
SMILES:CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35)
定義日:2019-11-14
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
XSA
XSA
表記:(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
組成式:C6 H15 B N2 O4
SMILES:C(C(O)=O)(NCCN)CCB(O)O
InChi:InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1
定義日:2021-01-08
最終更新日:2024-09-27
公開日:2022-02-09
識別子（ID）:(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
NLO
NLO
表記:O-METHYL-L-NORLEUCINE
組成式:C7 H15 N O2
SMILES:O=C(OC)C(N)CCCC
InChi:InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
定義日:2004-01-27
最終更新日:2024-09-27
識別子（ID）:methyl L-norleucinate
Y5S
Y5S
表記:(1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C24 H41 N3 O8 S
SMILES:CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C
InChi:InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1
定義日:2021-02-04
最終更新日:2024-09-27
公開日:2021-02-17
識別子（ID）:(1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
UVK
UVK
表記:4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
組成式:C15 H12 F N O4 S
SMILES:Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
PO8
PO8
表記:(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
組成式:C7 H16 N O5
SMILES:[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1
定義日:2020-04-26
最終更新日:2024-09-27
公開日:2021-05-12
識別子（ID）:[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium
XDV
XDV
表記:2-[2-(2-aminoethoxy)ethoxy]acetamide
組成式:C6 H14 N2 O3
SMILES:NC(COCCOCCN)=O
InChi:InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)
定義日:2020-12-11
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:2-[2-(2-aminoethoxy)ethoxy]acetamide
XDY
XDY
表記:N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
組成式:C14 H20 N4 O5
SMILES:C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O
InChi:InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1
定義日:2020-12-11
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
POA
POA
表記:PHOSPHONOACETALDEHYDE
組成式:C2 H5 O4 P
SMILES:O=CCP(=O)(O)O
InChi:InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
定義日:2002-07-12
最終更新日:2024-09-27
識別子（ID）:(2-oxoethyl)phosphonic acid
ME7
ME7
表記:1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
組成式:C10 H8 N2 O4
SMILES:O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
InChi:InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
定義日:2011-03-04
最終更新日:2024-09-27
識別子（ID）:1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
ZKR
ZKR
表記:[5-(trifluoromethyl)thiophen-2-yl]boronic acid
組成式:C5 H4 B F3 O2 S
SMILES:FC(F)(F)c1ccc(s1)B(O)O
InChi:InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
定義日:2023-06-28
最終更新日:2024-09-27
公開日:2024-07-17
識別子（ID）:[5-(trifluoromethyl)thiophen-2-yl]boronic acid
YWX
YWX
表記:2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one
組成式:C19 H13 F3 N6 O
SMILES:O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F
InChi:InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6-
別名:inhibitor CT1, bound form
定義日:2023-03-02
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon