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
A1B4Z
A1B4Z
表記:(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
組成式:C12 H15 Cl N4 O2
SMILES:O=C(Cc1ncncc1Cl)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C12H15ClN4O2/c13-9-5-15-7-16-10(9)4-11(18)17-3-1-2-8(6-17)12(14)19/h5,7-8H,1-4,6H2,(H2,14,19)/t8-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(5-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
A1B5A
A1B5A
表記:(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide
組成式:C13 H18 N4 O2 S
SMILES:O=C(Cc1cncnc1SC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C13H18N4O2S/c1-20-13-10(6-15-8-16-13)5-11(18)17-4-2-3-9(7-17)12(14)19/h6,8-9H,2-5,7H2,1H3,(H2,14,19)/t9-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-{[4-(methylsulfanyl)pyrimidin-5-yl]acetyl}piperidine-3-carboxamide
A1B5B
A1B5B
表記:(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide
組成式:C16 H21 N3 O3 S
SMILES:O=C(Cc1ccccc1SC)N1CC(CC(C1)C(N)=O)C(N)=O
InChi:InChI=1S/C16H21N3O3S/c1-23-13-5-3-2-4-10(13)7-14(20)19-8-11(15(17)21)6-12(9-19)16(18)22/h2-5,11-12H,6-9H2,1H3,(H2,17,21)(H2,18,22)/t11-,12+
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3R,5S)-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3,5-dicarboxamide
A1B5E
A1B5E
表記:(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
組成式:C16 H18 N4 O2
SMILES:NC(=O)C1CC(=O)N(C1)C(c1nccn1C)c1ccccc1
InChi:InChI=1S/C16H18N4O2/c1-19-8-7-18-16(19)14(11-5-3-2-4-6-11)20-10-12(15(17)22)9-13(20)21/h2-8,12,14H,9-10H2,1H3,(H2,17,22)/t12-,14-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(S)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-5-oxopyrrolidine-3-carboxamide
A1B5F
A1B5F
表記:(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide
組成式:C16 H22 N2 O2 S
SMILES:CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O
InChi:InChI=1S/C16H22N2O2S/c1-11-7-13(16(17)20)10-18(9-11)15(19)8-12-5-3-4-6-14(12)21-2/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)/t11-,13+/m1/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S,5R)-5-methyl-1-{[2-(methylsulfanyl)phenyl]acetyl}piperidine-3-carboxamide
A1B5Q
A1B5Q
表記:(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
組成式:C15 H17 N3 O2 S
SMILES:NC(=O)C1CCCN(C1)C(=O)Cc1cccc2ncsc12
InChi:InChI=1S/C15H17N3O2S/c16-15(20)11-4-2-6-18(8-11)13(19)7-10-3-1-5-12-14(10)21-9-17-12/h1,3,5,9,11H,2,4,6-8H2,(H2,16,20)/t11-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
A1B5R
A1B5R
表記:(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
組成式:C12 H15 Cl N4 O2
SMILES:O=C(Cc1ccnc(Cl)n1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C12H15ClN4O2/c13-12-15-4-3-9(16-12)6-10(18)17-5-1-2-8(7-17)11(14)19/h3-4,8H,1-2,5-7H2,(H2,14,19)/t8-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(2-chloropyrimidin-4-yl)acetyl]piperidine-3-carboxamide
A1B5U
A1B5U
表記:(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
組成式:C16 H20 N2 O2
SMILES:NC(=O)C1CCC(=O)N(C1)C1CCCc2ccccc12
InChi:InChI=1S/C16H20N2O2/c17-16(20)12-8-9-15(19)18(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2,(H2,17,20)/t12-,14-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-6-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
A1B5V
A1B5V
表記:(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide
組成式:C16 H21 Br N2 O2 S
SMILES:O=C(Cc1cc(Br)ccc1SC)N1CCCC(CC1)C(N)=O
InChi:InChI=1S/C16H21BrN2O2S/c1-22-14-5-4-13(17)9-12(14)10-15(20)19-7-2-3-11(6-8-19)16(18)21/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,21)/t11-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(4S)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}azepane-4-carboxamide
A1B5Y
A1B5Y
表記:(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide
組成式:C16 H20 N2 O2 S
SMILES:O=C(Cc1ccccc1SC)N1CC(CC2CC21)C(N)=O
InChi:InChI=1S/C16H20N2O2S/c1-21-14-5-3-2-4-10(14)8-15(19)18-9-12(16(17)20)6-11-7-13(11)18/h2-5,11-13H,6-9H2,1H3,(H2,17,20)/t11?,12-,13+/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(1S,4S,6R)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[4.1.0]heptane-4-carboxamide
A1B5Z
A1B5Z
表記:(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide
組成式:C13 H18 N2 O2 S2
SMILES:CSc1cscc1CC(=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C13H18N2O2S2/c1-18-11-8-19-7-10(11)5-12(16)15-4-2-3-9(6-15)13(14)17/h7-9H,2-6H2,1H3,(H2,14,17)/t9-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}piperidine-3-carboxamide
A1B6A
A1B6A
表記:2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide
組成式:C16 H20 N2 O2 S
SMILES:O=C(Cc1ccccc1SC)N1CC2CC1(CC(N)=O)C2
InChi:InChI=1S/C16H20N2O2S/c1-21-13-5-3-2-4-12(13)6-15(20)18-10-11-7-16(18,8-11)9-14(17)19/h2-5,11H,6-10H2,1H3,(H2,17,19)/t11-,16+
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:2-[(1s,4s)-2-{[2-(methylsulfanyl)phenyl]acetyl}-2-azabicyclo[2.1.1]hexan-1-yl]acetamide
A1B6B
A1B6B
表記:(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
組成式:C16 H20 N2 O2
SMILES:O=C(Cc1ccccc1C)N1CC2CC(C2)(C1)C(N)=O
InChi:InChI=1S/C16H20N2O2/c1-11-4-2-3-5-13(11)6-14(19)18-9-12-7-16(8-12,10-18)15(17)20/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
A1B6C
A1B6C
表記:(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide
組成式:C17 H23 N3 O3 S
SMILES:NC(=O)C1CCCN(C1)C(=O)N1CCCOc2cccc(SC)c12
InChi:InChI=1S/C17H23N3O3S/c1-24-14-7-2-6-13-15(14)20(9-4-10-23-13)17(22)19-8-3-5-12(11-19)16(18)21/h2,6-7,12H,3-5,8-11H2,1H3,(H2,18,21)/t12-/m0/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[6-(methylsulfanyl)-3,4-dihydro-1,5-benzoxazepine-5(2H)-carbonyl]piperidine-3-carboxamide
A1B6D
A1B6D
表記:(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide
組成式:C16 H21 Br N2 O2 S
SMILES:O=C(Cc1cc(Br)ccc1SC)N1CC(CCC1C)C(N)=O
InChi:InChI=1S/C16H21BrN2O2S/c1-10-3-4-11(16(18)21)9-19(10)15(20)8-12-7-13(17)5-6-14(12)22-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,18,21)/t10-,11+/m1/s1
定義日:2025-03-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S,6R)-1-{[5-bromo-2-(methylsulfanyl)phenyl]acetyl}-6-methylpiperidine-3-carboxamide
A1BME
A1BME
表記:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one
組成式:C26 H29 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C2=CC(=O)N(C=C12)C1CCOCC1
InChi:InChI=1S/C26H29F3N4O2/c1-15-18(4-3-5-22(15)26(27,28)29)16(2)31-25-21-14-33(17-7-10-35-11-8-17)24(34)12-19(21)20-13-30-9-6-23(20)32-25/h3-5,12,14,16-17,30H,6-11,13H2,1-2H3,(H,31,32)/t16-/m1/s1
定義日:2024-12-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one
A1BXY
A1BXY
表記:prop-2-ynoic acid
組成式:C3 H2 O2
SMILES:C#CC(=O)O
InChi:InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
定義日:2025-02-21
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:prop-2-ynoic acid
ONO
ONO
表記:2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
組成式:C28 H31 N5 O6
SMILES:O=CC(NC(=O)c3ccc(c1c(nc(OC)cc1)C(=O)Nc2ccc(cc2)C(N)N)c(C(=O)O)c3)C(C)(C)C
InChi:InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-14,21,24H,29-30H2,1-4H3,(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1
定義日:2005-10-11
最終更新日:2025-03-27
識別子（ID）:2-(2-{[4-(diaminomethyl)phenyl]carbamoyl}-6-methoxypyridin-3-yl)-5-{[(1S)-1-formyl-2,2-dimethylpropyl]carbamoyl}benzoic acid
ZGW
ZGW
表記:Nirmatrelvir
組成式:C23 H32 F3 N5 O4
SMILES:CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
別名:(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
定義日:2023-03-09
最終更新日:2025-03-27
公開日:2023-07-12
識別子（ID）:(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
1NJ
1NJ
表記:2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
組成式:C28 H31 N5 O6
SMILES:O=C(O)c3c(c1c(nc(OC)cc1)C(=O)Nc2ccc(C(=[N@H])N)cc2)ccc(C(=O)NC(C(C)(C)C)CO)c3
InChi:InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1
定義日:2013-04-05
最終更新日:2025-03-27
公開日:2013-08-21
識別子（ID）:2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
CFX
CFX
表記:CEFOXITIN
組成式:C16 H17 N3 O7 S2
SMILES:O=C(O)C=1N2C(=O)C(NC(=O)Cc3cccs3)(OC)C2SCC=1COC(N)=O
InChi:InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1
定義日:2001-02-16
最終更新日:2025-03-27
識別子（ID）:(1S,6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
6GS
6GS
表記:2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
組成式:C10 H15 F N2 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)(C2O)C
InChi:InChI=1S/C10H15FN2O11P2/c1-10(11)7(15)5(4-22-26(20,21)24-25(17,18)19)23-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
定義日:2014-10-30
最終更新日:2025-03-25
公開日:2015-02-11
識別子（ID）:2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
DAB
DAB
表記:2,4-DIAMINOBUTYRIC ACID
組成式:C4 H10 N2 O2
SMILES:O=C(O)C(N)CCN
InChi:InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2025-03-24
識別子（ID）:(2S)-2,4-diaminobutanoic acid
YTL
YTL
表記:(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid
組成式:C11 H13 N O5
SMILES:NCC(=O)O[CH](Cc1ccc(O)cc1)C(O)=O
InChi:InChI=1S/C11H13NO5/c12-6-10(14)17-9(11(15)16)5-7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,12H2,(H,15,16)/t9-/m0/s1
定義日:2023-02-21
最終更新日:2025-03-21
公開日:2025-03-26
識別子（ID）:(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid
A1EBM
A1EBM
表記:(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal
組成式:C10 H18 O
SMILES:CC(C)CC=C(C=O)C(C)C
InChi:InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+
定義日:2024-09-06
最終更新日:2025-03-21
公開日:2025-03-26
識別子（ID）:(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon