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
010
010
表記:phenylmethanol
組成式:C7 H8 O
SMILES:OCc1ccccc1
InChi:InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
定義日:2010-11-15
最終更新日:2024-09-27
公開日:2013-12-25
識別子（ID）:phenylmethanol
011
011
表記:7-aminoheptanoic acid
組成式:C7 H15 N O2
SMILES:O=C(O)CCCCCCN
InChi:InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
定義日:2010-11-16
最終更新日:2024-09-27
識別子（ID）:7-aminoheptanoic acid
01B
01B
表記:(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
組成式:C10 H13 N O3
SMILES:O=C(O)C(O)C(N)Cc1ccccc1
InChi:InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
定義日:2010-06-18
最終更新日:2024-09-27
識別子（ID）:(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
01E
01E
表記:(2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
組成式:C31 H44 I N5 O6
SMILES:O=C(n1cccc1)CC(C(=O)NC(C)C(O)C(=O)NCc2ccc(I)cc2)NC(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C31H44IN5O6/c1-19(25(40)28(42)33-18-20-10-12-21(32)13-11-20)34-27(41)22(16-24(39)37-14-8-9-15-37)35-29(43)26(31(5,6)7)36-23(38)17-30(2,3)4/h8-15,19,22,25-26,40H,16-18H2,1-7H3,(H,33,42)(H,34,41)(H,35,43)(H,36,38)/t19-,22-,25-,26+/m0/s1
別名:BILC 821
定義日:2008-11-07
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-3-{[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N,N-bis{1-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N-{(1S,2S)-1-hydroxy-1-[N-(4-iodobenzyl)amide]propan-2-yl}-L-alpha-asparaginyl]-1H-pyrrol-2-yl}-L-asparaginyl]amino}-2-hydroxy-N-(4-iodobenzyl)butanamide
JIH
JIH
表記:[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
組成式:C26 H26 Cl F N3 O7 P
SMILES:O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1
InChi:InChI=1S/C26H26ClFN3O7P/c27-15-25(33)30-21-3-1-2-19(12-21)16-29-26(34)23(31-24(32)14-18-4-8-20(28)9-5-18)13-17-6-10-22(11-7-17)38-39(35,36)37/h1-12,23H,13-16H2,(H,29,34)(H,30,33)(H,31,32)(H2,35,36,37)/t23-/m0/s1
定義日:2022-04-27
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
01W
01W
表記:(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
組成式:C10 H12 N4 O6
SMILES:[O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O
InChi:InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1
定義日:2008-07-21
最終更新日:2024-09-27
識別子（ID）:(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
JIW
JIW
表記:beta-D-manno-configured cyclophellitol aziridine, reacted form
組成式:C7 H15 N O5
SMILES:N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
別名:(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
定義日:2022-04-28
最終更新日:2024-09-27
公開日:2022-05-18
識別子（ID）:(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
02A
02A
表記:(2S)-azetidine-2-carboxylic acid
組成式:C4 H7 N O2
SMILES:O=C(O)C1NCC1
InChi:InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
定義日:2011-02-25
最終更新日:2024-09-27
識別子（ID）:(2S)-azetidine-2-carboxylic acid
JIZ
JIZ
表記:(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
組成式:C18 H18 N6 O3 S4
SMILES:C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc(n3)[CH](CS)NC(=O)c4csc1n4
InChi:InChI=1S/C18H18N6O3S4/c1-7-16-22-10(4-29-16)13(25)19-8(2)17-23-12(5-30-17)15(27)21-9(3-28)18-24-11(6-31-18)14(26)20-7/h4-9,28H,3H2,1-2H3,(H,19,25)(H,20,26)(H,21,27)/t7-,8-,9-/m0/s1
定義日:2022-04-28
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
02G
02G
表記:(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
組成式:C7 H12 O3 S
SMILES:O=C(O)CC(O)/C=C/CCS
InChi:InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1
定義日:2011-05-04
最終更新日:2024-09-27
識別子（ID）:(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
02J
02J
表記:5-methyl-1,2-oxazole-3-carboxylic acid
組成式:C5 H5 N O3
SMILES:O=C(O)c1noc(c1)C
InChi:InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
定義日:2011-06-17
最終更新日:2024-09-27
識別子（ID）:5-methyl-1,2-oxazole-3-carboxylic acid
JJ9
JJ9
表記:N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
組成式:C15 H15 N3 O3 S
SMILES:CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2
InChi:InChI=1S/C15H15N3O3S/c1-10(20)16-6-7-17-14(21)11-2-4-12(5-3-11)15-18-13(8-19)9-22-15/h2-5,8-9H,6-7H2,1H3,(H,16,20)(H,17,21)
定義日:2022-08-18
最終更新日:2024-09-27
公開日:2023-11-15
識別子（ID）:~{N}-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide
02K
02K
表記:1-aminocyclohexanecarboxylic acid
組成式:C7 H13 N O2
SMILES:O=C(O)C1(N)CCCCC1
InChi:InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
定義日:2011-06-15
最終更新日:2024-09-27
識別子（ID）:1-aminocyclohexanecarboxylic acid
02N
02N
表記:1-(4-methylphenyl)methanamine
組成式:C8 H11 N
SMILES:NCc1ccc(cc1)C
InChi:InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
定義日:2011-06-17
最終更新日:2024-09-27
識別子（ID）:1-(4-methylphenyl)methanamine
JJC
JJC
表記:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide
組成式:C27 H23 Cl N4 O4
SMILES:O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1ccc(NC(=O)CCl)cc1)c1ccco1
InChi:InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-12-22(13-11-21)32(27(35)23-9-5-15-36-23)25(20-8-4-14-29-18-20)26(34)30-17-19-6-2-1-3-7-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1
定義日:2023-08-07
最終更新日:2024-09-27
公開日:2024-01-24
識別子（ID）:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide
JJJ
JJJ
表記:S-(pyridin-3-ylcarbonyl)-L-cysteine
組成式:C9 H10 N2 O3 S
SMILES:O=C(O)C(N)CSC(=O)c1cccnc1
InChi:InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
定義日:2010-08-06
最終更新日:2024-09-27
識別子（ID）:S-(pyridin-3-ylcarbonyl)-L-cysteine
02U
02U
表記:14-methylhexadec-9-enoic acid
組成式:C17 H32 O2
SMILES:O=C(O)CCCCCCC/C=C/CCCC(C)CC
InChi:InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
定義日:2011-06-10
最終更新日:2024-09-27
識別子（ID）:14-methylhexadec-9-enoic acid
02V
02V
表記:(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
組成式:C9 H11 N O4
SMILES:O=C(O)C(c1cc(O)c(O)cc1)NC
InChi:InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1
定義日:2011-06-10
最終更新日:2024-09-27
識別子（ID）:(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
JJK
JJK
表記:S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
組成式:C9 H12 N2 O3 S
SMILES:O=C(O)C(N)CSC(O)c1cccnc1
InChi:InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1
定義日:2010-08-06
最終更新日:2024-09-27
識別子（ID）:S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
JJL
JJL
表記:S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
組成式:C10 H14 N2 O4 S
SMILES:O=C(O)C(N)CSC(O)c1cncc(OC)c1
InChi:InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1
定義日:2010-08-06
最終更新日:2024-09-27
識別子（ID）:S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
02Y
02Y
表記:6-diazonio-5-oxo-L-norleucine
組成式:C6 H10 N3 O3
SMILES:O=C(CCC(N)C(=O)O)C[N+]#N
InChi:InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1
定義日:2011-07-18
最終更新日:2024-09-27
識別子（ID）:6-diazonio-5-oxo-L-norleucine
JJO
JJO
表記:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide
組成式:C27 H23 Cl N4 O4
SMILES:O=C(N(C(c1cccnc1)C(=O)NCc1ccccc1)c1cccc(NC(=O)CCl)c1)c1ccco1
InChi:InChI=1S/C27H23ClN4O4/c28-16-24(33)31-21-10-4-11-22(15-21)32(27(35)23-12-6-14-36-23)25(20-9-5-13-29-18-20)26(34)30-17-19-7-2-1-3-8-19/h1-15,18,25H,16-17H2,(H,30,34)(H,31,33)/t25-/m1/s1
定義日:2023-08-07
最終更新日:2024-09-27
公開日:2024-01-24
識別子（ID）:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide
JJT
JJT
表記:(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
組成式:C12 H20 N4 O3
SMILES:OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2
InChi:InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1
定義日:2019-03-06
最終更新日:2024-09-27
公開日:2019-08-21
識別子（ID）:(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
JK0
JK0
表記:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide
組成式:C27 H31 N3 O3
SMILES:CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1)C(=O)NCc1ccccc1
InChi:InChI=1S/C27H31N3O3/c1-27(2,3)22-11-13-23(14-12-22)30(24(32)15-17-31)25(21-10-7-16-28-19-21)26(33)29-18-20-8-5-4-6-9-20/h4-14,16,19,25,31H,15,17-18H2,1-3H3,(H,29,33)/t25-/m1/s1
定義日:2023-08-07
最終更新日:2024-09-27
公開日:2024-01-24
識別子（ID）:N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide
03E
03E
表記:1-aminocycloheptanecarboxylic acid
組成式:C8 H15 N O2
SMILES:O=C(O)C1(N)CCCCCC1
InChi:InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
定義日:2011-08-14
最終更新日:2024-09-27
識別子（ID）:1-aminocycloheptanecarboxylic acid

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon