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
SRX
SRX
表記:chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
組成式:C30 H34 Cl N4 O3 Ru S
SMILES:O=S(=O)(N)c1ccc(cc1)C(=O)NC4c2[n+](cccc2)[Ru]%10%109876([n+]3ccccc34)C5(C%10(C9(C8(C7(C)C56C)C)C)C)C
InChi:InChI=1S/C18H16N4O3S.C12H18.ClH.Ru/c19-26(24,25)14-9-7-13(8-10-14)18(23)22-17(15-5-1-3-11-20-15)16-6-2-4-12-21-16
定義日:2011-02-15
最終更新日:2011-07-08
識別子（ID）:chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
06T
06T
表記:(5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
組成式:C28 H39 N5 O3
SMILES:O=C2c1c(c3n(c1CC(C)(C)C2)c4ccc(c(NC(C(C)CN(C(=O)C(N)C)CC3)C)c4)C(=O)N)C
InChi:InChI=1S/C28H39N5O3/c1-15-14-32(27(36)17(3)29)10-9-22-16(2)25-23(12-28(5,6)13-24(25)34)33(22)19-7-8-20(26(30)35)21(11-19)31-18(15)4/h7-8,11,15,17-18,31H,9-10,12-14,29H2,1-6H3,(H2,30,35)/t15-,17+,18+/m1/s1
定義日:2011-04-25
最終更新日:2011-07-08
識別子（ID）:(5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
1HN
1HN
表記:1-hydroxynaphthalene-2-carboxylic acid
組成式:C11 H8 O3
SMILES:O=C(O)c2ccc1ccccc1c2O
InChi:InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
定義日:2010-06-22
最終更新日:2011-07-08
識別子（ID）:1-hydroxynaphthalene-2-carboxylic acid
EDG
EDG
表記:1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL
組成式:C5 H11 N O3
SMILES:OC[CH]1NC[CH](O)[CH]1O
InChi:InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
定義日:2011-03-24
最終更新日:2011-07-08
識別子（ID）:(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
DGX
DGX
表記:DIGOXIN
組成式:C41 H64 O14
SMILES:O=C1OCC(=C1)C2CCC8(O)C2(C)C(O)CC7C8CCC6CC(OC5OC(C(OC4OC(C(OC3OC(C)C(O)C(O)C3)C(O)C4)C)C(O)C5)C)CCC67C
InChi:InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
定義日:1999-07-08
最終更新日:2011-07-02
識別子（ID）:(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
5P5
5P5
表記:(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
組成式:C17 H32 O16 P2
SMILES:O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)CCC
InChi:InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14-,15-,16+,17-/m1/s1
定義日:2011-04-20
最終更新日:2011-07-01
識別子（ID）:(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
TB6
TB6
表記:[(2R)-2-hydroxypropyl]phosphonic acid
組成式:C3 H9 O4 P
SMILES:O=P(O)(O)CC(O)C
InChi:InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
定義日:2011-06-09
最終更新日:2011-07-01
識別子（ID）:[(2R)-2-hydroxypropyl]phosphonic acid
OJ8
OJ8
表記:(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
組成式:C25 H22 N2 O3
SMILES:n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5
InChi:InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
定義日:2010-08-31
最終更新日:2011-07-01
識別子（ID）:(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl][5-(pyridin-2-yl)-1,3-oxazol-2-yl]methanol
VZ5
VZ5
表記:(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate
組成式:C20 H29 N O4 S
SMILES:O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2O)C3CC4)C)N
InChi:InChI=1S/C20H29NO4S/c1-3-12-10-16-13(11-18(12)25-26(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h10-11,14-15,17,19,22H,3-9H2,1-2H3,(H2,21,23,24)/t14-,15+,17-,19-,20-/m0/s1
定義日:2010-09-08
最終更新日:2011-07-01
識別子（ID）:(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate
LDR
LDR
表記:phenanthridin-6(5H)-one
組成式:C13 H9 N O
SMILES:O=C2c3c(c1c(cccc1)N2)cccc3
InChi:InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
定義日:2011-06-14
最終更新日:2011-07-01
識別子（ID）:phenanthridin-6(5H)-one
BFE
BFE
表記:N-(2-sulfanylethyl)benzamide
組成式:C9 H11 N O S
SMILES:O=C(NCCS)c1ccccc1
InChi:InChI=1S/C9H11NOS/c11-9(10-6-7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
定義日:2010-03-11
最終更新日:2011-07-01
識別子（ID）:N-(2-sulfanylethyl)benzamide
D67
D67
表記:2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
組成式:C15 H12 F5 N5
SMILES:FC(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C
InChi:InChI=1S/C15H12F5N5/c1-8-7-11(22-10-5-3-9(4-6-10)15(18,19)20)25-13(21-8)23-12(24-25)14(2,16)17/h3-7,22H,1-2H3
定義日:2011-06-14
最終更新日:2011-07-01
識別子（ID）:2-(1,1-difluoroethyl)-5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
K12
K12
表記:12-hydroxydodecyl dihydrogen phosphate
組成式:C12 H27 O5 P
SMILES:O=P(OCCCCCCCCCCCCO)(O)O
InChi:InChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16)
定義日:2010-08-24
最終更新日:2011-07-01
識別子（ID）:12-hydroxydodecyl dihydrogen phosphate
RUS
RUS
表記:1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one
組成式:C9 H13 N2 O8 P Se
SMILES:O=P(O)(O)OCC2OC(N1C(=NC(=O)C=C1)[SeH])C(O)C2O
InChi:InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
定義日:2011-06-02
最終更新日:2011-06-24
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one
TRK
TRK
表記:TIRANDAMYCIN D
組成式:C22 H27 N O6
SMILES:O=C1/C(C(=O)NC1)=C(/O)C=CC(=CC(C3OC2(OC(C(=O)C=C2C)C3C)C)C)C
InChi:InChI=1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,19-,20+,22+/m1/s1
定義日:2010-12-22
最終更新日:2011-06-24
識別子（ID）:(3Z)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}pyrrolidine-2,4-dione
S62
S62
表記:1,3-benzothiazole-2,5-disulfonic acid
組成式:C7 H5 N O6 S3
SMILES:O=S(=O)(O)c1cc2nc(sc2cc1)S(=O)(=O)O
InChi:InChI=1S/C7H5NO6S3/c9-16(10,11)4-1-2-6-5(3-4)8-7(15-6)17(12,13)14/h1-3H,(H,9,10,11)(H,12,13,14)
定義日:2011-03-01
最終更新日:2011-06-24
識別子（ID）:1,3-benzothiazole-2,5-disulfonic acid
UNV
UNV
表記:6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
組成式:C8 H11 N O6 P2
SMILES:O=P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O
InChi:InChI=1S/C8H11NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h1-3H,4-5H2,(H2,10,11,12)(H2,13,14,15)
定義日:2011-05-20
最終更新日:2011-06-24
識別子（ID）:6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
QUV
QUV
表記:N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
組成式:C61 H107 N3 O9
SMILES:O=C(Nc2c1ccccc1ccc2)NCC3OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C3O
InChi:InChI=1S/C61H107N3O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(66)63-52(56(67)53(65)45-36-34-32-30-28-16-14-12-10-8-6-4-2)48-72-60-59(70)58(69)57(68)54(73-60)47-62-61(71)64-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,65,67-70H,3-37,45-48H2,1-2H3,(H,63,66)(H2,62,64,71)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1
定義日:2011-03-02
最終更新日:2011-06-24
識別子（ID）:N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
KRM
KRM
表記:4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE
組成式:C19 H19 N3 O2
SMILES:n3nc(c2ccc(Oc1ccccc1)cc2)cc3N4CCOCC4
InChi:InChI=1S/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
定義日:2010-10-05
最終更新日:2011-06-24
識別子（ID）:4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
34F
34F
表記:(1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID
組成式:C10 H12 Cl2 N O5 P
SMILES:ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C=O
InChi:InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)/t10-/m0/s1
定義日:2010-12-08
最終更新日:2011-06-24
識別子（ID）:[(1S)-1-(3,4-dichlorophenyl)-3-(hydroxy-methanoyl-amino)propyl]phosphonic acid
BGR
BGR
表記:[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
組成式:C10 H16 B N5 O6 P
SMILES:[BH3-][P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N
InChi:InChI=1S/C10H16BN5O6P/c11-23(19,20)21-2-5-4(17)1-6(22-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h3-6,17H,1-2H2,11H3,(H,19,20)(H3,12,14,15,18)/q-1/t4-,5+,6+/m0/s1
定義日:2011-04-13
最終更新日:2011-06-24
識別子（ID）:[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
LLZ
LLZ
表記:N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
組成式:C21 H28 N2 O4
SMILES:O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
InChi:InChI=1S/C21H28N2O4/c1-14(23-10-4-3-5-19(22)21(25)26)11-20(24)17-7-6-16-13-18(27-2)9-8-15(16)12-17/h6-9,12-14,19,23H,3-5,10-11,22H2,1-2H3,(H,25,26)/t14-,19-/m0/s1
定義日:2010-06-23
最終更新日:2011-06-24
識別子（ID）:N~6~-[(2S)-4-(6-methoxynaphthalen-2-yl)-4-oxobutan-2-yl]-L-lysine
5EL
5EL
表記:4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE
組成式:C28 H27 N3 O3
SMILES:O=C(NCc1ccncc1)c5ccc(Oc4ccc(C#CC3(O)C2CCN(CC2)C3)cc4)cc5
InChi:InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/m0/s1
定義日:2011-05-13
最終更新日:2011-06-24
識別子（ID）:4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-N-(pyridin-4-ylmethyl)benzamide
3S2
3S2
表記:[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
組成式:C11 H22 N4 O5 S
SMILES:O=C(NCCCCNC)N1C(C=O)C(NS(=O)(=O)O)CC1
InChi:InChI=1S/C11H22N4O5S/c1-12-5-2-3-6-13-11(17)15-7-4-9(10(15)8-16)14-21(18,19)20/h8-10,12,14H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t9-,10-/m1/s1
定義日:2011-05-17
最終更新日:2011-06-24
識別子（ID）:[(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
BMQ
BMQ
表記:1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID
組成式:C9 H13 N2 O10 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O
InChi:InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
定義日:2000-03-02
最終更新日:2011-06-24
識別子（ID）:6-oxouridine 5'-(dihydrogen phosphate)

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon