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
E00
E00
表記:benzyltrimethylammonium
組成式:C10 H16 N
SMILES:C[N+](C)(C)Cc1ccccc1
InChi:InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
定義日:2021-12-01
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:N,N,N-trimethyl(phenyl)methanaminium
8CK
8CK
表記:N-(4-fluorophenyl)-4,5-dimethyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidin-2-amine
組成式:C22 H23 F N4
SMILES:C[CH]1N(CCc2ccccc12)c3nc(Nc4ccc(F)cc4)nc(C)c3C
InChi:InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
別名:R-revaprazan
定義日:2021-12-03
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-(4-fluorophenyl)-4,5-dimethyl-6-[(1~{R})-1-methyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]pyrimidin-2-amine
8QI
8QI
表記:({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
組成式:C11 H19 N5 O10 P2
SMILES:O=P(O)(O)COCC(OCC(O)P(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-4-16(9)1-6(2-25-5-27(19,20)21)26-3-7(17)28(22,23)24/h4,6-7,17H,1-3,5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7-/m0/s1
定義日:2021-09-24
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
IRK
IRK
表記:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1
定義日:2022-01-27
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
J9X
J9X
表記:2-(ethylamino)-2-oxidanylidene-ethanoic acid
組成式:C4 H7 N O3
SMILES:CCNC(=O)C(O)=O
InChi:InChI=1S/C4H7NO3/c1-2-5-3(6)4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
定義日:2021-05-01
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:2-(ethylamino)-2-oxidanylidene-ethanoic acid
F2D
F2D
表記:3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one
組成式:C19 H25 N O
SMILES:O=C1c2ccccc2NC(CC=CCCCCCC)=C1C
InChi:InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+
定義日:2021-12-14
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one
NB2
NB2
表記:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C33 H56 N6 O6 S
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1
定義日:2022-01-10
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
LPG
LPG
表記:(2S)-2-aminobut-3-ynoic acid
組成式:C4 H5 N O2
SMILES:C#CC(N)C(=O)O
InChi:InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1
別名:2-AMINO-BUT-3-YNOIC ACID
定義日:2001-02-13
最終更新日:2022-02-22
識別子（ID）:(2S)-2-aminobut-3-ynoic acid
U9T
U9T
表記:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
組成式:C15 H21 F N2 O
SMILES:CC1CCN(CC1)C(=O)NCCc2ccccc2F
InChi:InChI=1S/C15H21FN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,17,19)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
U9W
U9W
表記:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H17 Cl N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
U9Z
U9Z
表記:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
組成式:C14 H17 F3 N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi:InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
5KC
5KC
表記:(2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
組成式:C6 H12 N2 O5
SMILES:N[CH]([CH](O)CNCC(O)=O)C(O)=O
InChi:InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1
定義日:2021-08-20
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2~{S},3~{S})-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
UA8
UA8
表記:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
組成式:C14 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCCC2
InChi:InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
UAB
UAB
表記:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
組成式:C17 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NCCCCc2ccccc2
InChi:InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
UAE
UAE
表記:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
組成式:C13 H24 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCC2
InChi:InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
UAK
UAK
表記:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
組成式:C15 H22 N2 O
SMILES:CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2
InChi:InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
YAV
YAV
表記:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
組成式:C46 H40 N2 O10
SMILES:Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1
InChi:InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)
定義日:2021-02-15
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
UAQ
UAQ
表記:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
組成式:C12 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)NCc2occc2
InChi:InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
UAT
UAT
表記:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
組成式:C14 H20 N2 O
SMILES:CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
UAW
UAW
表記:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(O)cc2
InChi:InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
XU7
XU7
表記:(2S)-2-amino-4-boronobutanoic acid
組成式:C4 H10 B N O4
SMILES:B(O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2S)-2-amino-4-boronobutanoic acid
UAZ
UAZ
表記:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C14 H20 N2 O2
SMILES:COc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChi:InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
UB5
UB5
表記:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
組成式:C12 H24 N2 O
SMILES:CCCCCNC(=O)N1CCC(C)CC1
InChi:InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
R1W
R1W
表記:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
組成式:C28 H30 Cl N5 O
SMILES:CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)
定義日:2020-08-25
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
XUJ
XUJ
表記:(2R)-2-amino-4-boronobutanoic acid
組成式:C4 H10 B N O4
SMILES:B(O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2R)-2-amino-4-boronobutanoic acid

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon