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
HFM
HFM
表記:2-FORMYL-PROTOPORPHRYN IX
組成式:C33 H32 Fe N4 O5
SMILES:O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=CO)C)C
InChi:InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26
定義日:2003-09-23
最終更新日:2024-09-27
識別子（ID）:{3,3'-[(7R,12Z)-7-ethenyl-12-(hydroxymethylidene)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron
I7F
I7F
表記:O-hydroxy-L-serine
組成式:C3 H7 N O4
SMILES:N[CH](COO)C(O)=O
InChi:InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
別名:(2S)-2-amino-3-hydroperoxypropanoic acid
定義日:2022-02-17
最終更新日:2024-09-27
公開日:2022-10-26
識別子（ID）:(2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid
I7H
I7H
表記:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
組成式:C31 H31 Cl F N5 O3
SMILES:Clc1cccc2cccc(c12)c1ncc2c(nc(nc2N2CCC(C=O)C(O)C2)OCC23CCCN3CCC2)c1F
InChi:InChI=1S/C31H31ClFN5O3/c32-23-8-2-6-19-5-1-7-21(25(19)23)27-26(33)28-22(15-34-27)29(37-14-9-20(17-39)24(40)16-37)36-30(35-28)41-18-31-10-3-12-38(31)13-4-11-31/h1-2,5-8,15,17,20,24,40H,3-4,9-14,16,18H2/t20-,24-/m0/s1
別名:(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one
定義日:2022-01-20
最終更新日:2024-09-27
公開日:2022-08-03
識別子（ID）:(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
I7I
I7I
表記:[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
組成式:C37 H47 N9 O17 P2
SMILES:CC[CH](N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6)c7ccc(O)c(OC)c7
InChi:InChI=1S/C37H47N9O17P2/c1-5-19(18-6-7-22(47)25(10-18)59-4)46-21-9-17(3)16(2)8-20(21)44(34-28(46)35(53)43-37(54)42-34)11-23(48)29(50)24(49)12-60-64(55,56)63-65(57,58)61-13-26-30(51)31(52)36(62-26)45-15-41-27-32(38)39-14-40-33(27)45/h6-10,14-15,19,23-24,26,29-31,36,47-52H,5,11-13H2,1-4H3,(H,55,56)(H,57,58)(H2,38,39,40)(H2,42,43,53,54)/t19-,23+,24-,26+,29+,30-,31-,36-/m1/s1
定義日:2022-02-17
最終更新日:2024-09-27
公開日:2022-11-16
識別子（ID）:[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
HG7
HG7
表記:(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
組成式:C13 H21 N3 O2
SMILES:CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1
InChi:InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1
定義日:2012-03-05
最終更新日:2024-09-27
識別子（ID）:(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
HGA
HGA
表記:GLUTAMINE HYDROXAMATE
組成式:C5 H10 N2 O4
SMILES:O=C(NO)CCC(C(=O)O)N
InChi:InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-hydroxy-L-glutamine
I7X
I7X
表記:6-imidazol-1-ylhexanoic acid
組成式:C9 H14 N2 O2
SMILES:OC(=O)CCCCCn1ccnc1
InChi:InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)
定義日:2022-06-14
最終更新日:2024-09-27
公開日:2023-06-14
識別子（ID）:6-imidazol-1-ylhexanoic acid
I80
I80
表記:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C24 H30 F3 N3 O6
SMILES:CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1
InChi:InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1
定義日:2021-10-01
最終更新日:2024-09-27
公開日:2022-11-09
識別子（ID）:(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
HGL
HGL
表記:(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
組成式:C9 H12 N6 O3
SMILES:O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N
InChi:InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1
定義日:2008-02-12
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
HGM
HGM
表記:(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
組成式:C9 H11 N O3
SMILES:CN[CH](C(O)=O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
定義日:2012-03-05
最終更新日:2024-09-27
識別子（ID）:(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
KPX
KPX
表記:Bilin 584 (single linked)
組成式:C33 H38 N4 O6
SMILES:O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O
InChi:InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
別名:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
定義日:2022-02-09
最終更新日:2024-09-27
公開日:2023-02-15
識別子（ID）:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
KPY
KPY
表記:(2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID
組成式:C8 H14 N2 O4 S
SMILES:O=C(O)C(N)CSCC/N=C(/C(=O)O)C
InChi:InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1
別名:PYRUVOYL-L-THIALYSINE
定義日:2012-02-03
最終更新日:2024-09-27
公開日:2013-01-18
識別子（ID）:S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine
HGW
HGW
表記:5-iodanylpyrimidine
組成式:C4 H3 I N2
SMILES:Ic1cncnc1
InChi:InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
定義日:2018-12-06
最終更新日:2024-09-27
公開日:2019-03-20
識別子（ID）:5-iodanylpyrimidine
KQ6
KQ6
表記:Bilin 584 (doubly linked)
組成式:C33 H40 N4 O6
SMILES:O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
別名:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
定義日:2022-02-09
最終更新日:2024-09-27
公開日:2023-02-15
識別子（ID）:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
HGY
HGY
表記:(2S)-amino(hydroxy)ethanoic acid
組成式:C2 H5 N O3
SMILES:O=C(O)C(O)N
InChi:InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)/t1-/m0/s1
別名:2-hydroxyglycine
定義日:2014-04-10
最終更新日:2024-09-27
公開日:2014-07-23
識別子（ID）:(2S)-amino(hydroxy)ethanoic acid
KQ9
KQ9
表記:1-[(dimethylamino)methyl]cyclobutan-1-amine
組成式:C7 H16 N2
SMILES:CN(C)CC1(N)CCC1
InChi:InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3
定義日:2022-06-01
最終更新日:2024-09-27
公開日:2022-12-07
識別子（ID）:1-[(dimethylamino)methyl]cyclobutan-1-amine
KQI
KQI
表記:6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
組成式:C19 H27 N5 O4
SMILES:C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1
別名:Beta-lactone antibacterial agent (open form)
定義日:2022-06-02
最終更新日:2024-09-27
公開日:2022-11-02
識別子（ID）:6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
KQN
KQN
表記:6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
組成式:C13 H23 N5 O4
SMILES:C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1
別名:Beta-lactone antibacterial agent (open form)
定義日:2022-06-02
最終更新日:2024-09-27
公開日:2022-11-02
識別子（ID）:6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
HHC
HHC
表記:~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
組成式:C13 H15 N5 O4 S
SMILES:N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1
定義日:2021-01-12
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:(4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
HHK
HHK
表記:(2S)-2,8-DIAMINOOCTANOIC ACID
組成式:C8 H18 N2 O2
SMILES:O=C(O)C(N)CCCCCCN
InChi:InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1
定義日:2004-12-07
最終更新日:2024-09-27
識別子（ID）:(2S)-2,8-diaminooctanoic acid
HHL
HHL
表記:N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
組成式:C23 H21 Cl2 F N4 O4
SMILES:COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl
InChi:InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30)
定義日:2021-01-12
最終更新日:2024-09-27
公開日:2021-04-14
識別子（ID）:~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
KR0
KR0
表記:3-decanoyloxypropyl decanoate
組成式:C23 H44 O4
SMILES:CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC
InChi:InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-18-22(24)26-20-17-21-27-23(25)19-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
定義日:2015-12-09
最終更新日:2024-09-27
公開日:2016-12-21
識別子（ID）:3-decanoyloxypropyl decanoate
HI5
HI5
表記:2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE
組成式:C11 H23 O9 P
SMILES:O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC
InChi:InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
定義日:2004-04-02
最終更新日:2024-09-27
識別子（ID）:(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate
HIA
HIA
表記:L-HISTIDINE AMIDE
組成式:C6 H10 N4 O
SMILES:O=C(N)C(N)Cc1cncn1
InChi:InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1
別名:L-HISTIDINAMIDE
定義日:2003-10-31
最終更新日:2024-09-27
識別子（ID）:L-histidinamide
KRN
KRN
表記:(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid
組成式:C10 H12 O4
SMILES:C(C(O)=O)CC(c1c(cccc1)O)O
InChi:InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1
定義日:2017-05-29
最終更新日:2024-09-27
公開日:2022-12-28
識別子（ID）:(4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon