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
QZV
QZV
表記:2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
組成式:C46 H40 N2 O10
SMILES:c6c(C#Cc2c(CC(O)=O)c1c(ccc(C)c1)o2)ccc(C(NCCOCCOCCNC(=O)c3ccc(cc3)C#Cc4oc5c(c4CC(O)=O)cc(cc5)C)=O)c6
InChi:InChI=1S/C46H40N2O10/c1-29-3-15-39-35(25-29)37(27-43(49)50)41(57-39)17-9-31-5-11-33(12-6-31)45(53)47-19-21-55-23-24-56-22-20-48-46(54)34-13-7-32(8-14-34)10-18-42-38(28-44(51)52)36-26-30(2)4-16-40(36)58-42/h3-8,11-16,25-26H,19-24,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)
定義日:2020-01-20
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
ONT
ONT
表記:(2~{S})-1-(2-methoxyethoxy)propan-2-amine
組成式:C6 H15 N O2
SMILES:COCCOC[CH](C)N
InChi:InChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1
別名:Jeffamine
定義日:2020-03-23
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:(2~{S})-1-(2-methoxyethoxy)propan-2-amine
R81
R81
表記:N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)
組成式:C32 H36 N6 O4
SMILES:C(NCc4ccc(C(=O)Nc3c(c(c2c(c(NC(c1ncc(cc1)CNCCO)=O)ccc2)C)ccc3)C)nc4)CO
InChi:InChI=1S/C32H36N6O4/c1-21-25(5-3-7-27(21)37-31(41)29-11-9-23(19-35-29)17-33-13-15-39)26-6-4-8-28(22(26)2)38-32(42)30-12-10-24(20-36-30)18-34-14-16-40/h3-12,19-20,33-34,39-40H,13-18H2,1-2H3,(H,37,41)(H,38,42)
定義日:2020-02-07
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)
PWN
PWN
表記:2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
組成式:C12 H12 N2 O4
SMILES:OC(=O)c1ccccc1C=NNC(=O)CCC=O
InChi:InChI=1S/C12H12N2O4/c15-7-3-6-11(16)14-13-8-9-4-1-2-5-10(9)12(17)18/h1-2,4-5,7-8H,3,6H2,(H,14,16)(H,17,18)/b13-8+
定義日:2020-04-30
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
PWQ
PWQ
表記:4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
組成式:C12 H12 N2 O4
SMILES:OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O
InChi:InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+
定義日:2020-04-30
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
PWT
PWT
表記:2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
組成式:C13 H16 N2 O4
SMILES:OC(=O)c1ccccc1CNNC(=O)CCCC=O
InChi:InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19)
定義日:2020-04-30
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
PWW
PWW
表記:4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
組成式:C13 H14 N2 O4
SMILES:OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O
InChi:InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+
定義日:2020-04-30
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid
PXQ
PXQ
表記:3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
組成式:C33 H42 N4 O6
SMILES:CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H42N4O6/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/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1
定義日:2020-05-01
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
S40
S40
表記:3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
組成式:C23 H23 N3 O3 S
SMILES:Cc1ccc(cc1N[S](=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4
InChi:InChI=1S/C23H23N3O3S/c1-16-4-5-20(23(27)25-15-17-3-2-12-24-14-17)13-22(16)26-30(28,29)21-10-8-19(9-11-21)18-6-7-18/h2-5,8-14,18,26H,6-7,15H2,1H3,(H,25,27)
定義日:2020-01-21
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-~{N}-(pyridin-3-ylmethyl)benzamide
T4H
T4H
表記:3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
組成式:C12 H11 Cl N2 O3 S
SMILES:Clc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:InChI=1S/C12H11ClN2O3S/c13-9-3-1-2-8(6-9)11(17)14-4-5-15-10(16)7-19-12(15)18/h1-3,6H,4-5,7H2,(H,14,17)
別名:~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide
定義日:2020-12-14
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-chloranyl-benzamide
U9V
U9V
表記:pentadecyl(tetradecyl)peroxyanhydride
組成式:C33 H64 O4
SMILES:O(C(=O)CCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCC
InChi:InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-30-36-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
定義日:2020-05-05
最終更新日:2021-01-15
公開日:2021-01-20
識別子（ID）:2-(pentadecanoyloxy)ethyl hexadecanoate
V7D
V7D
表記:2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid
組成式:C16 H24 N3 O7 P
SMILES:OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O
InChi:InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1
定義日:2020-07-13
最終更新日:2021-01-12
公開日:2020-11-25
識別子（ID）:2,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid
VOJ
VOJ
表記:3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
組成式:C20 H19 F N6 O
SMILES:n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N
InChi:InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
定義日:2020-08-31
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
VOM
VOM
表記:2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
組成式:C21 H18 F N5 O2
SMILES:c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C
InChi:InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1
定義日:2020-08-31
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
VOP
VOP
表記:[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
組成式:C23 H19 F N6 O3
SMILES:c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N
InChi:InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1
定義日:2020-08-31
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
YK8
YK8
表記:20alpha-hydroxy-20-(5-methylhexyl)cholesterol
組成式:C28 H48 O2
SMILES:CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
定義日:2020-11-17
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
VR4
VR4
表記:N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide
組成式:C29 H38 N4 O6
SMILES:C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O
InChi:InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1
別名: GC376 alpha-ketoamide analog (bound form)
定義日:2020-09-09
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide
VR7
VR7
表記:2-hydroxy-5-(thiophen-3-yl)benzoic acid
組成式:C11 H8 O3 S
SMILES:c1c(ccc(c1C(O)=O)O)c2ccsc2
InChi:InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
定義日:2020-09-09
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:2-hydroxy-5-(thiophen-3-yl)benzoic acid
VUA
VUA
表記:4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
組成式:C18 H24 N4
SMILES:n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3
InChi:InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
定義日:2020-09-15
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
VUD
VUD
表記:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
組成式:C19 H16 F N5 O2
SMILES:C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
定義日:2020-09-15
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
VZP
VZP
表記:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
組成式:C9 H18 N2 O3 S
SMILES:N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
InChi:InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
VZY
VZY
表記:N-(3-methylbenzene-1-carbonyl)glycine
組成式:C10 H11 N O3
SMILES:c1c(cc(cc1)C)C(NCC(O)=O)=O
InChi:InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-(3-methylbenzene-1-carbonyl)glycine
W04
W04
表記:N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide
組成式:C9 H13 N3 O
SMILES:N(C(=O)CNC)c1cc(ccn1)C
InChi:InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide
W0D
W0D
表記:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
組成式:C13 H11 N3 O2
SMILES:n2c(CNC(=O)c1ccco1)nc3ccccc23
InChi:InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
W0G
W0G
表記:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
組成式:C11 H13 F N2 O
SMILES:N1(C(C(CC1)NC)=O)c2ccccc2F
InChi:InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
定義日:2020-09-24
最終更新日:2021-01-08
公開日:2021-01-13
識別子（ID）:(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon