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
7CY
7CY
表記:(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
組成式:C11 H15 N5 O3
SMILES:n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O
InChi:InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
別名:Aristeromycin
定義日:2016-10-05
最終更新日:2021-03-01
公開日:2016-10-19
識別子（ID）:(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
7D4
7D4
表記:[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C10 H16 N5 O12 P3
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3CO
InChi:InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
別名:oxetanocin A triphosphate
定義日:2016-10-07
最終更新日:2021-03-01
公開日:2016-11-16
識別子（ID）:[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
P5S
P5S
表記:O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
組成式:C42 H82 N O10 P
SMILES:O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
別名:phosphatidyl serine
定義日:2012-07-19
最終更新日:2021-03-01
公開日:2013-06-26
識別子（ID）:O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
7D5
7D5
表記:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
組成式:C10 H14 N5 O6 P
SMILES:c1nc(c2c(n1)n(cn2)C3C(C(COP(O)(=O)O)O3)CO)N
InChi:InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
別名:oxetanocin A monophosphate
定義日:2016-10-07
最終更新日:2021-03-01
公開日:2016-11-16
識別子（ID）:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
7DP
7DP
表記:~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide
組成式:C10 H13 N O3
SMILES:CC(=O)NCCc1ccc(O)c(O)c1
InChi:InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
別名:N-acetyldopamine
定義日:2016-06-24
最終更新日:2021-03-01
公開日:2017-07-05
識別子（ID）:~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide
P6G
P6G
表記:HEXAETHYLENE GLYCOL
組成式:C12 H26 O7
SMILES:O(CCO)CCOCCOCCOCCOCCO
InChi:InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
別名:POLYETHYLENE GLYCOL PEG400
定義日:2000-11-29
最終更新日:2021-03-01
識別子（ID）:3,6,9,12,15-pentaoxaheptadecane-1,17-diol
P7M
P7M
表記:N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
組成式:C11 H6 Br Cl2 N O3 S2
SMILES:c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
InChi:InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
別名:Tasisulam
定義日:2019-08-05
最終更新日:2021-03-01
公開日:2019-11-13
識別子（ID）:N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
P7Y
P7Y
表記:2-[(E)-2-nitroethenyl]phenol
組成式:C8 H7 N O3
SMILES:[O-][N+](=O)/C=C/c1ccccc1O
InChi:InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+
別名:(E)-1-(2'-hydroxyphenyl)-2-nitroethene
定義日:2010-10-14
最終更新日:2021-03-01
識別子（ID）:2-[(E)-2-nitroethenyl]phenol
P8P
P8P
表記:(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
組成式:C19 H38 O11 P2
SMILES:O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O
InChi:InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
別名:dioctanoylglycerol pyrophosphate
定義日:2011-07-06
最終更新日:2021-03-01
識別子（ID）:(2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
P8Q
P8Q
表記:(S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide
組成式:C33 H36 Cl N7 O4 S
SMILES:Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C
InChi:InChI=1S/C33H36ClN7O4S/c1-19-20(2)46-33-30(19)31(22-10-12-23(34)13-11-22)37-26(32-39-38-21(3)41(32)33)18-29(44)36-25-16-14-24(15-17-25)35-27(42)8-6-4-5-7-9-28(43)40-45/h10-17,26,45H,4-9,18H2,1-3H3,(H,35,42)(H,36,44)(H,40,43)/t26-/m0/s1
別名:TW12
定義日:2020-04-17
最終更新日:2021-03-01
公開日:2020-05-06
識別子（ID）:~{N}-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]phenyl]-~{N}'-oxidanyl-octanediamide
P8S
P8S
表記:heptadecafluoro-1-octanesulfonic acid
組成式:C8 H F17 O3 S
SMILES:FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
別名:perfluorooctane sulfonate
定義日:2012-03-27
最終更新日:2021-03-01
識別子（ID）:1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
P9H
P9H
表記:(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
組成式:C19 H25 N3 O7 S
SMILES:N[CH](CCC(=O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
InChi:InChI=1S/C19H25N3O7S/c20-13(19(28)29)6-7-16(24)22-14(18(27)21-10-17(25)26)11-30-15(8-9-23)12-4-2-1-3-5-12/h1-5,9,13-15H,6-8,10-11,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/t13-,14-,15+/m0/s1
別名:Glutathionyl-cinnamaldehyde
定義日:2020-04-19
最終更新日:2021-03-01
公開日:2020-08-26
識別子（ID）:(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
PA6
PA6
表記:(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE
組成式:C9 H17 O8 P
SMILES:O=P(O)(OCC(OC=O)COC(=O)CCCC)O
InChi:InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
別名:PHOSPHATIDIC ACID
定義日:2006-11-07
最終更新日:2021-03-01
識別子（ID）:(2R)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate
7IM
7IM
表記:N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide
組成式:C29 H46 N4 O10
SMILES:O=C(NC(CC(C)C)C(O)CCO)C(NC(=O)C(NC(=O)C(C(=O)NC(C(=O)O)Cc1ccccc1)C)C(O)C)C(O)C
InChi:InChI=1S/C29H46N4O10/c1-15(2)13-20(22(37)11-12-34)30-27(40)23(17(4)35)33-28(41)24(18(5)36)32-26(39)16(3)25(38)31-21(29(42)43)14-19-9-7-6-8-10-19/h6-10,15-18,20-24,34-37H,11-14H2,1-5H3,(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,42,43)/t16-,17+,18-,20+,21+,22+,23+,24+/m1/s1
別名:Macyranone-A
定義日:2015-02-10
最終更新日:2021-03-01
公開日:2015-02-18
識別子（ID）:N-[(2S)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-L-threonyl-N-[(3S,4S)-1,3-dihydroxy-6-methylheptan-4-yl]-L-allothreoninamide
7JD
7JD
表記:6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
組成式:C14 H9 F N2 O2
SMILES:Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3
InChi:InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19)
別名:6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
定義日:2016-11-02
最終更新日:2021-03-01
公開日:2017-11-22
識別子（ID）:6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
PC1
PC1
表記:1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
組成式:C44 H88 N O8 P
SMILES:O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1
別名:3-SN-PHOSPHATIDYLCHOLINE
定義日:2003-07-09
最終更新日:2021-03-01
識別子（ID）:(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
7JM
7JM
表記:6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
組成式:C14 H11 N3 O2
SMILES:Cc1ncccc1c2cc(O)c3N=CNC(=O)c3c2
InChi:InChI=1S/C14H11N3O2/c1-8-10(3-2-4-15-8)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h2-7,18H,1H3,(H,16,17,19)
別名:8-hydroxy-6-(2-methylpyridin-3-yl)-3H-quinazolin-4-one
定義日:2016-11-02
最終更新日:2021-03-01
公開日:2017-11-22
識別子（ID）:6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
B65
B65
表記:(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
組成式:C16 H19 O7 P S
SMILES:O=S(=O)(O)C(P(=O)(O)O)CCCc2cc(Oc1ccccc1)ccc2
InChi:InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1
別名:BPH-652
定義日:2007-11-14
最終更新日:2021-03-01
識別子（ID）:(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
PCO
PCO
表記:2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE
組成式:C11 H20 N2 O4 S
SMILES:O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO
InChi:InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1
別名:PANTOTHENOYLAMINOETHENETHIOL
定義日:2002-10-01
最終更新日:2021-03-01
識別子（ID）:(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide
PCV
PCV
表記:5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID
組成式:C8 H14 N2 O4
SMILES:O=C1N(C(C(=O)O)C(O)CCN)CC1
InChi:InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1
別名:PROCLAVAMINIC ACID
定義日:2000-01-21
最終更新日:2021-03-01
識別子（ID）:5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid
PDA
PDA
表記:2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID
組成式:C11 H17 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1
別名:PYRIDOXYL-ALANINE-5-PHOSPHATE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine
PDC
PDC
表記:PYRIDINE-2,6-DICARBOXYLIC ACID
組成式:C7 H5 N O4
SMILES:O=C(O)c1nc(C(=O)O)ccc1
InChi:InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
別名:DIPICOLINIC ACID
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:pyridine-2,6-dicarboxylic acid
B6Y
B6Y
表記:(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C26 H46 N4 O10 S
SMILES:C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC
InChi:InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1
別名:bound form
定義日:2017-08-02
最終更新日:2021-03-01
公開日:2018-04-04
識別子（ID）:(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
PDK
PDK
表記:(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
組成式:C47 H87 N4 O17 P
SMILES:O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChi:InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1
別名:PE-DTPA
定義日:2009-09-30
最終更新日:2021-03-01
識別子（ID）:(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
PDM
PDM
表記:4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
組成式:C14 H16 N2 O5
SMILES:O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
InChi:InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
別名:PARA-PHENYL DIMALEMIDE
定義日:2002-02-06
最終更新日:2021-03-01
識別子（ID）:(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon