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
2H0
2H0
表記:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
組成式:C20 H34 N3 O5 P
SMILES:O=C(NCCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t18-/m0/s1
別名:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide
定義日:2013-10-17
最終更新日:2021-03-01
公開日:2014-04-02
識別子（ID）:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide
2IW
2IW
表記:4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide
組成式:C26 H21 N3 O3
SMILES:O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O
InChi:InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+
別名:IWR-2
定義日:2012-03-06
最終更新日:2021-03-01
識別子（ID）:4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide
VN3
VN3
表記:VANADATE ION
組成式:O3 V
SMILES:O=[V-](=O)=O
InChi:InChI=1S/3O.V/q
別名:METAVANADATE
定義日:2005-07-14
最終更新日:2021-03-01
識別子（ID）:trioxovanadate(1-)
TNV
TNV
表記:[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE
組成式:C9 H16 N5 O10 P3
SMILES:C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
別名:TENOFOVIR-DIPHOSPHATE
定義日:2004-04-21
最終更新日:2021-03-01
識別子（ID）:[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
TOF
TOF
表記:1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
組成式:C7 H7 N5 O2
SMILES:O=C2N=C1C(=NC=NN1C)C(=O)N2C
InChi:InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
別名:Toxoflavin
定義日:2010-09-27
最終更新日:2021-03-01
識別子（ID）:1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
TOR
TOR
表記:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
組成式:C12 H21 N O8 S
SMILES:O=S(=O)(OCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C)N
InChi:InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
別名:topiramate
定義日:2009-06-03
最終更新日:2021-03-01
識別子（ID）:[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)
TP7
TP7
表記:Coenzyme B
組成式:C11 H22 N O7 P S
SMILES:C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O
InChi:InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1
別名:7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid
2L3
2L3
表記:(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
組成式:C11 H10 O5 S
SMILES:O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C
InChi:InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1
別名:menadione bisulfite
定義日:2013-11-25
最終更新日:2021-03-01
公開日:2014-02-19
識別子（ID）:(2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
2LB
2LB
表記:(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
組成式:C11 H10 O5 S
SMILES:O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C
InChi:InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1
別名:menadione bisulfite
定義日:2013-11-26
最終更新日:2021-03-01
公開日:2014-02-19
識別子（ID）:(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
TPV
TPV
表記:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
組成式:C31 H33 F3 N2 O5 S
SMILES:FC(F)(F)c1ccc(nc1)S(=O)(=O)Nc2cccc(c2)C(C=3C(=O)OC(CCC)(CC=3O)CCc4ccccc4)CC
InChi:InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
別名:TIPRANAVIR
定義日:1999-10-06
最終更新日:2021-03-01
識別子（ID）:N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
2NC
2NC
表記:N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
組成式:C35 H68 N11 O8
SMILES:O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C
InChi:InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1
別名:p2/NC
定義日:2008-03-24
最終更新日:2021-03-01
識別子（ID）:N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
2NV
2NV
表記:3,6,9,12,15-pentaoxaoctadecan-17-amine
組成式:C13 H29 N O5
SMILES:NC(C)COCCOCCOCCOCCOCC
InChi:InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1
別名:Jeffamine ED-2001
定義日:2014-04-21
最終更新日:2021-03-01
公開日:2014-04-30
識別子（ID）:(17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine
TS2
TS2
表記:2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
組成式:C27 H47 N9 O10 S2
SMILES:O=C(O)C(N)CCC(=O)NC1C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CSSC1
InChi:InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1
別名:RING WITH GLUTATHIONE AND SPERMIDINE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) (non-preferred name)
B1R
B1R
表記:[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
組成式:C20 H16 N2 O2 Ru S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57
InChi:InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
別名:biotinylruthenocene
定義日:2012-12-06
最終更新日:2021-03-01
公開日:2013-08-14
識別子（ID）:[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
TSX
TSX
表記:N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE
組成式:C21 H25 N5 O3
SMILES:O=C(Nc1ccc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)CC=C)CCCC)C
InChi:InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)
別名:1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
定義日:2002-07-09
最終更新日:2021-03-01
識別子（ID）:N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide
TTF
TTF
表記:4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE
組成式:C8 H5 F3 O2 S
SMILES:O=C(c1sccc1)CC(=O)C(F)(F)F
InChi:InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
別名:2-THENOYLTRIFLUOROACETONE
定義日:2005-05-18
最終更新日:2021-03-01
識別子（ID）:4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
TTG
TTG
表記:2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID
組成式:C23 H25 N3 O6
SMILES:O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c1cc2CN3C(=O)C=4CO)CN(C)C)CC
InChi:InChI=1S/C23H25N3O6/c1-4-23(32,22(30)31)16-8-18-20-12(9-26(18)21(29)15(16)11-27)7-13-14(10-25(2)3)19(28)6-5-17(13)24-20/h5-8,27-28,32H,4,9-11H2,1-3H3,(H,30,31)/t23-/m0/s1
別名:HYDROLYZED PRODUCT OF TOPOTECAN
定義日:2002-01-15
最終更新日:2021-03-01
識別子（ID）:(2S)-2-{1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid
TTI
TTI
表記:2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
組成式:C9 H13 N2 O8 P Te
SMILES:[Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2
InChi:InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1
別名:5-Tellurium-deoxyuridine-5'-phosphate
定義日:2008-12-03
最終更新日:2021-03-01
識別子（ID）:2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
B31
B31
表記:(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
組成式:C21 H41 N5 O12
SMILES:O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN
InChi:InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
別名:Butirosin A
定義日:2009-05-10
最終更新日:2021-03-01
識別子（ID）:(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
B32
B32
表記:5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
組成式:C22 H38 N6 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N
InChi:InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1
別名:S-adenosyl-N-decyl-aminoethyl (SADAE)
定義日:2009-05-04
最終更新日:2021-03-01
識別子（ID）:5'-S-[2-(decylamino)ethyl]-5'-thioadenosine
B40
B40
表記:(2S)-N-methyl-1-phenylpropan-2-amine
組成式:C10 H15 N
SMILES:N(C(Cc1ccccc1)C)C
InChi:InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
別名:Methamphetamine
定義日:2009-03-19
最終更新日:2021-03-01
識別子（ID）:(2S)-N-methyl-1-phenylpropan-2-amine
TUX
TUX
表記:1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL
組成式:C22 H41 N O7
SMILES:O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO
InChi:InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1
別名:TU-514
定義日:2003-03-18
最終更新日:2021-03-01
識別子（ID）:1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol
B4Q
B4Q
表記:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
組成式:C25 H27 N3
SMILES:CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C
InChi:InChI=1S/C25H27N3/c1-3-20-8-4-5-9-22(20)21-13-12-19(16-18(21)2)17-26-15-14-25-27-23-10-6-7-11-24(23)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)
別名:CAM4739
定義日:2017-09-09
最終更新日:2021-03-01
公開日:2018-02-28
識別子（ID）:2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
B5L
B5L
表記:N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
組成式:C13 H38 N5
SMILES:C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+]
InChi:InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4
別名:N4-bis(aminopropyl)spermidine
定義日:2019-01-16
最終更新日:2021-03-01
公開日:2019-06-26
識別子（ID）:N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
TWO
TWO
表記:3,4-dimethoxybenzoic acid
組成式:C9 H10 O4
SMILES:O=C(O)c1cc(OC)c(OC)cc1
InChi:InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
別名:VERATRIC ACID
定義日:2012-04-09
最終更新日:2021-03-01
公開日:2013-02-15
識別子（ID）:3,4-dimethoxybenzoic acid

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon