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
T4J
T4J
表記:N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
組成式:C13 H16 N2 O2 S
SMILES:N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O
InChi:InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
T4M
T4M
表記:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
組成式:C14 H15 N O
SMILES:c1(cccc2c1cccc2)C(NC(=O)C)C
InChi:InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
T4V
T4V
表記:1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
組成式:C17 H20 N2 O
SMILES:N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23
InChi:InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
T4Y
T4Y
表記:1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
組成式:C15 H22 N2 O
SMILES:N2(CCCN(Cc1ccccc1C)CC2)C(=O)C
InChi:InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
T54
T54
表記:(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
組成式:C10 H13 N O S
SMILES:c1c(csc1)C2C(C(N)=O)CCC2
InChi:InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
定義日:2020-03-16
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
BQU
BQU
表記:3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
組成式:C19 H18 N2 O3 S
SMILES:Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2
InChi:InChI=1S/C19H18N2O3S/c20-16-8-6-14(10-13(16)7-9-19(22)23)17-12-25-18(21-17)11-24-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11,20H2,(H,22,23)
定義日:2019-03-05
最終更新日:2020-03-20
公開日:2020-03-25
識別子（ID）:3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
VMC
VMC
表記:2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
組成式:C23 H27 N3 O2
SMILES:Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C
InChi:InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1
定義日:2019-09-06
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
J8T
J8T
表記:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
組成式:C6 H14 N O6 P
SMILES:CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
InChi:InChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1
定義日:2019-02-11
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
CO0
CO0
表記:(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione
組成式:C17 H14 N2 O2
SMILES:CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3
InChi:InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)/b15-11-
定義日:2019-05-10
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione
CQ9
CQ9
表記:(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
組成式:C17 H14 N2 O3
SMILES:CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c4ccccc4
InChi:InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17+/m0/s1
定義日:2019-05-10
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
EAR
EAR
表記:ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
組成式:C17 H16 Cl N3 O3
SMILES:CCOC(=O)CN1C(=CC(=O)n2cc(nc12)c3ccc(Cl)cc3)C
InChi:InChI=1S/C17H16ClN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3
定義日:2019-12-04
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
M6O
M6O
表記:lauric acid functionalized hexamolybdoaluminate
組成式:C16 H30 Al Mo6 N O25
SMILES:O.O.O.O.O.O.O.O.O.O.O.O.CCCCCCCCCCCC(=O)N[C]12C[O]34[Mo]5O[Mo]36O[Mo]7O[Mo]89O[Mo]%10(O8)O[Mo]%11(O5)O[Al]4(O6)([O]79C1)[O]%10%11C2
InChi:InChI=1S/C16H30NO4.Al.6Mo.12H2O.9O/c1-2-3-4-5-6-7-8-9-10-11-15(21)17-16(12-18,13-19)14-20
定義日:2020-01-23
最終更新日:2020-03-13
公開日:2020-03-18
MI9
MI9
表記:Oxomolybdenum Mesoporphyrin IX
組成式:C34 H36 Mo N4 O5
SMILES:CCC1=C(C)C2=NC1=Cc3n4c(C=C5N=C(C=C6[N](C(=C2)C(=C6CCC(O)=O)C)[Mo]4=O)C(=C5C)CCC(O)=O)c(CC)c3C
InChi:InChI=1S/C34H38N4O4.Mo.O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:2019-03-12
最終更新日:2020-03-13
公開日:2020-03-18
CV0
CV0
表記:MESOPORPHYRIN IX CONTAINING Rh
組成式:C34 H36 N4 O4 Rh
SMILES:CCC1=C(C)C2=Cc3n4[Rh][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C)c3CC)C(=C6CCC(O)=O)C)C
InChi:InChI=1S/C34H38N4O4.Rh/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:2019-05-17
最終更新日:2020-03-13
公開日:2020-03-18
CV3
CV3
表記:(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione
組成式:C18 H13 F3 N2 O2
SMILES:CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccc(cc3)C(F)(F)F
InChi:InChI=1S/C18H13F3N2O2/c1-23-15(10-11-6-8-12(9-7-11)18(19,20)21)16(24)22-14-5-3-2-4-13(14)17(23)25/h2-10H,1H3,(H,22,24)/b15-10-
定義日:2019-05-20
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione
D0L
D0L
表記:(2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
組成式:C21 H32 N2 O3
SMILES:CCCCCCCN1CCC[CH]1C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:InChI=1S/C21H32N2O3/c1-2-3-4-5-9-14-23-15-10-13-19(23)20(24)22-18(21(25)26)16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3,(H,22,24)(H,25,26)/t18-,19-/m0/s1
定義日:2019-05-29
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(2~{S})-2-[[(2~{S})-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
LJN
LJN
表記:[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C10 H17 N4 O8 P
SMILES:CC(=O)NCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C10H17N4O8P/c1-5(15)11-2-6-3-14(13-12-6)10-9(17)8(16)7(22-10)4-21-23(18,19)20/h3,7-10,16-17H,2,4H2,1H3,(H,11,15)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1
定義日:2019-08-20
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
LQN
LQN
表記:2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
組成式:C20 H14 F3 N O Se
SMILES:FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[SeH])c2
InChi:InChI=1S/C20H14F3NOSe/c21-20(22,23)15-10-8-13(9-11-15)14-4-3-5-16(12-14)24-19(25)17-6-1-2-7-18(17)26/h1-12,26H,(H,24,25)
定義日:2019-09-02
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
LQW
LQW
表記:~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
組成式:C14 H12 Cl N O Se
SMILES:Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
InChi:InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)
定義日:2019-09-02
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
LR2
LR2
表記:~{N}-pyridin-2-yl-2-selanyl-benzamide
組成式:C12 H10 N2 O Se
SMILES:[SeH]c1ccccc1C(=O)Nc2ccccn2
InChi:InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)
定義日:2019-09-02
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:~{N}-pyridin-2-yl-2-selanyl-benzamide
M36
M36
表記:7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
組成式:C31 H36 O8
SMILES:COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(O)=O
InChi:InChI=1S/C31H36O8/c1-18(2)11-12-20-26-22(17-24(30(20)36-5)37-15-9-7-6-8-10-25(32)33)38-23-16-21-19(13-14-31(3,4)39-21)28(34)27(23)29(26)35/h11,13-14,16-17,34H,6-10,12,15H2,1-5H3,(H,32,33)
定義日:2019-07-26
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
HYO
HYO
表記:[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
組成式:C17 H23 N O3
SMILES:CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3
InChi:InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
定義日:2020-01-02
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2~{S})-3-oxidanyl-2-phenyl-propanoate
R0D
R0D
表記:(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
組成式:C21 H19 Cl N2 O3
SMILES:C3CC2(c1cc(Cl)ccc1N=C2)CCN3C(C5COc4ccccc4O5)=O
InChi:InChI=1S/C21H19ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1
定義日:2020-01-21
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
R0G
R0G
表記:4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile
組成式:C21 H23 N3 O
SMILES:c21c(cccc1)C(C(C2)N3CCCC(C3)N)Oc4ccc(cc4)C#N
InChi:InChI=1S/C21H23N3O/c22-13-15-7-9-18(10-8-15)25-21-19-6-2-1-4-16(19)12-20(21)24-11-3-5-17(23)14-24/h1-2,4,6-10,17,20-21H,3,5,11-12,14,23H2/t17-,20-,21-/m1/s1
定義日:2020-01-21
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile
R0M
R0M
表記:(2E,4E)-hepta-2,4-dienoic acid
組成式:C7 H10 O2
SMILES:[C@H](C=CCC)=[C@H]C(=O)O
InChi:InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+
定義日:2020-01-21
最終更新日:2020-03-13
公開日:2020-03-18
識別子（ID）:(2E,4E)-hepta-2,4-dienoic acid

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon