Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
UQF
UQF
Name:1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine
Formula:C27 H36 N14 O7
SMILES:NC(=N)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C27H36N14O7/c28-21-15-23(35-9-33-21)40(11-37-15)25-19(45)17(43)12(47-25)7-39(6-2-4-32-27(30)31)5-1-3-14-38-16-22(29)34-10-36-24(16)41(14)26-20(46)18(44)13(8-42)48-26/h9-13,17-20,25-26,42-46H,2,4-8H2,(H2,28,33,35)(H2,29,34,36)(H4,30,31,32)/t12-,13?,17+,18+,19+,20+,25-,26-/m0/s1
Definition date:2023-09-06
Last modified:2025-03-14
Release date:2025-03-19
Identifier:1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine
O2O
O2O
Name:2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
Formula:C21 H14 Cl N3 O4
SMILES:Cc1cccc(c1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3n2
InChi:InChI=1S/C21H14ClN3O4/c1-12-3-2-4-13(9-12)21-24-18-10-14(5-8-19(18)29-21)23-20(26)16-11-15(25(27)28)6-7-17(16)22/h2-11H,1H3,(H,23,26)
Definition date:2022-08-26
Last modified:2024-09-27
Release date:2022-11-09
Identifier:2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
41Q
41Q
Name:4-imino-L-homoserine
Formula:C4 H8 N2 O3
SMILES:O=C(O)C(N)CC(=[N@H])O
InChi:InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:2015-01-15
Last modified:2024-09-27
Release date:2015-10-07
Identifier:4-imino-L-homoserine
8E7
8E7
Name:2-(decylamino)ethane-1-thiol
Formula:C12 H27 N S
SMILES:CCCCCCCCCCNCCS
InChi:InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3
Definition date:2017-01-27
Last modified:2024-09-27
Release date:2017-06-14
Identifier:2-(decylamino)ethane-1-thiol
TSQ
TSQ
Name:4-(trimethylsilyl)-L-phenylalanine
Formula:C12 H19 N O2 Si
SMILES:c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C
InChi:InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:2019-02-04
Last modified:2024-09-27
Release date:2020-09-09
Identifier:4-(trimethylsilyl)-L-phenylalanine
05Y
05Y
Name:~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
Formula:C17 H18 N4 O
SMILES:CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
InChi:InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)
Definition date:2021-06-03
Last modified:2024-09-27
Release date:2022-04-06
Identifier:~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
MEN
MEN
Name:N-METHYL ASPARAGINE
Formula:C5 H10 N2 O3
SMILES:O=C(NC)CC(N)C(=O)O
InChi:InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:N-methyl-L-asparagine
MND
MND
Name:N-methyl-D-asparagine
Formula:C5 H10 N2 O3
SMILES:O=C(NC)CC(N)C(=O)O
InChi:InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:2008-06-02
Last modified:2024-09-27
Identifier:N-methyl-D-asparagine
CZO
CZO
Name:[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
Formula:C15 H21 N3 O6
SMILES:O=C1N(CC(=O)O)C(O)(NC1Cc2ccc(O)cc2)C(N)C(O)C
InChi:InChI=1S/C15H21N3O6/c1-8(19)13(16)15(24)17-11(14(23)18(15)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13,17,19-20,24H,6-7,16H2,1H3,(H,21,22)/t8-,11+,13+,15-/m1/s1
Definition date:2008-12-17
Last modified:2024-09-27
Identifier:[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
ASN
ASN
Name:ASPARAGINE
Formula:C4 H8 N2 O3
SMILES:O=C(N)CC(N)C(=O)O
InChi:InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:L-asparagine
DSG
DSG
Name:D-ASPARAGINE
Formula:C4 H8 N2 O3
SMILES:O=C(N)CC(N)C(=O)O
InChi:InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
Definition date:2004-06-28
Last modified:2023-11-03
Identifier:D-asparagine
FNE
FNE
Name:(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)
Formula:C3 Fe Ni O3 S
SMILES:[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChi:InChI=1S/3CO.Fe.Ni.S/c3*1-2
Definition date:2000-06-21
Last modified:2023-09-23
Identifier:3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane
XZJ
XZJ
Name:{(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate
Formula:C22 H38 O5
SMILES:CC(C)CC(CC(C)C)C[C@H]=C1C(=O)OC(C1)(CO)COC(C(C)(C)C)=O
InChi:InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+/t22-/m1/s1
Synonyms:AJH-836
Definition date:2021-01-22
Last modified:2022-04-29
Release date:2022-05-04
Identifier:{(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate
JAX
JAX
Name:(E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid
Formula:C12 H11 N O3
SMILES:CC(=C(O)C(O)=O)c1c[nH]c2ccccc12
InChi:InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+
Definition date:2021-05-10
Last modified:2022-03-11
Release date:2022-03-16
Identifier:(~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid
6EU
6EU
Name:resiniferatoxin
Formula:C37 H40 O9
SMILES:COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O
InChi:InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
Synonyms:RTX
Definition date:2016-03-23
Last modified:2021-03-01
Release date:2016-05-25
Identifier:[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate
BMR
BMR
Name:((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate
Formula:C16 H21 O13 P3
SMILES:COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:InChI=1S/C16H21O13P3/c1-25-14-7-11-5-3-2-4-10(11)6-12(14)15-8-13(17)16(27-15)9-26-31(21,22)29-32(23,24)28-30(18,19)20/h2-7,13,15-17H,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/p-4/t13-,15+,16+/m0/s1
Synonyms:dNaM-Triphosphate
Definition date:2013-10-02
Last modified:2021-03-01
Release date:2013-12-11
Identifier:[[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
X4V
X4V
Name:N~4~,N~4~-dimethylpyridine-2,4-diamine
Formula:C7 H11 N3
SMILES:CN(C)c1ccnc(c1)N
InChi:InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)
Definition date:2020-11-30
Last modified:2020-12-04
Release date:2020-12-09
Identifier:N~4~,N~4~-dimethylpyridine-2,4-diamine
HSS
HSS
Name:5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE
Formula:C16 H21 N9 O7 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4
InChi:InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1
Synonyms:5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE
Definition date:2007-05-25
Last modified:2020-06-17
Identifier:5'-O-(L-histidylsulfamoyl)adenosine
3MO
3MO
Name:3-METHYL-1,3-OXAZOLIDIN-2-ONE
Formula:C4 H7 N O2
SMILES:O=C1OCCN1C
InChi:InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
Synonyms:3-METHYL-2-OXAZOLIDINONE
Definition date:2006-07-21
Last modified:2020-06-17
Identifier:3-methyl-1,3-oxazolidin-2-one
BHE
BHE
Name:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Formula:C20 H38 O10
SMILES:O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO
InChi:InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1
Synonyms:H-antigen acceptor
Definition date:2008-01-04
Last modified:2020-06-17
Identifier:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
BM0
BM0
Name:1-butyl-3-methyl-1H-imidazol-3-ium
Formula:C8 H15 N2
SMILES:C(C)CCn1cc[n+](c1)C
InChi:InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
Synonyms:1-butyl-3-methylimidazolium
Definition date:2015-07-24
Last modified:2020-06-17
Release date:2015-11-04
Identifier:1-butyl-3-methyl-1H-imidazol-3-ium
AR1
AR1
Name:(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM
Formula:C20 H28 N11 O4
SMILES:O=C(c1nc(NC=O)cn1C)Nc3nc(C(=O)Nc2nc(C(=O)NCC[NH+](C)C)n(c2)C)n(c3)C
InChi:InChI=1S/C20H27N11O4/c1-28(2)7-6-21-18(33)15-24-13(9-30(15)4)26-20(35)17-25-14(10-31(17)5)27-19(34)16-23-12(22-11-32)8-29(16)3/h8-11H,6-7H2,1-5H3,(H,21,33)(H,22,32)(H,26,35)(H,27,34)/p+1
Synonyms:TRI-IMIDAZOLE DNA MINOR GROOVE BINDER
Definition date:1999-07-16
Last modified:2020-06-17
Identifier:2-({[4-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-N,N-dimethylethanaminium
DM5
DM5
Name:IDARUBICIN
Formula:C26 H27 N O9
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C
InChi:InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
Synonyms:4-DEMETHOXY-DAUNORUBICIN
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
DNA
DNA
Name:1,4-dihydroxy-2-naphthoic acid
Formula:C11 H8 O4
SMILES:O=C(O)c2cc(O)c1ccccc1c2O
InChi:InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
Synonyms:1,4-dihydroxynaphthalene-2-carboxylic acid
Definition date:2009-07-10
Last modified:2020-06-17
Identifier:1,4-dihydroxynaphthalene-2-carboxylic acid
37T
37T
Name:THEOBROMINE
Formula:C7 H8 N4 O2
SMILES:O=C2N(c1ncn(c1C(=O)N2)C)C
InChi:InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Synonyms:3,7-DIMETHYLXANTHINE
Definition date:2007-03-02
Last modified:2020-05-26
Identifier:3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

 

12>

238582

数据于2025-07-09公开中

PDB statisticsPDBj update infoContact PDBjnumon