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
63R
63R
表記:N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
組成式:C24 H29 N3 O3
SMILES:C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4
InChi:InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1
定義日:2019-07-29
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
A0Z
A0Z
表記:8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
組成式:C15 H16 I4 N2 O2
SMILES:OC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c12
InChi:InChI=1S/C15H16I4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)
定義日:2017-08-09
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
9AB
9AB
表記:8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
組成式:C15 H16 Br4 N2 O2
SMILES:OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
InChi:InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)
定義日:2017-05-03
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
FHQ
FHQ
表記:~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
組成式:C10 H9 Br N6 O
SMILES:Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2
InChi:InChI=1S/C10H9BrN6O/c11-8-3-1-7(2-4-8)6-12-15-10(18)5-9-13-16-17-14-9/h1-4,6H,5H2,(H,15,18)(H,13,14,16,17)/b12-6+
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
FHT
FHT
表記:[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
組成式:C10 H11 Br N7 O2
SMILES:[NH3+]NC(=O)[CH](NC(=O)c1ccc(Br)cc1)c2n[nH]nn2
InChi:InChI=1S/C10H10BrN7O2/c11-6-3-1-5(2-4-6)9(19)13-7(10(20)14-12)8-15-17-18-16-8/h1-4,7H,12H2,(H,13,19)(H,14,20)(H,15,16,17,18)/p+1/t7-/m1/s1
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
FHW
FHW
表記:(2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
組成式:C10 H12 N6 O
SMILES:NNC(=O)[CH](Cc1ccccc1)c2n[nH]nn2
InChi:InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:(2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
FHZ
FHZ
表記:(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
組成式:C11 H14 N6 O2
SMILES:COc1ccc(C[CH](C(=O)NN)c2n[nH]nn2)cc1
InChi:InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
FJ8
FJ8
表記:~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
組成式:C11 H12 N6 O
SMILES:Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2
InChi:InChI=1S/C11H12N6O/c1-8-2-4-9(5-3-8)7-12-15-11(18)6-10-13-16-17-14-10/h2-5,7H,6H2,1H3,(H,15,18)(H,13,14,16,17)/b12-7+
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
FJB
FJB
表記:[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
組成式:C14 H20 N7 O2
SMILES:[NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2
InChi:InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1
定義日:2018-07-10
最終更新日:2020-01-24
公開日:2020-01-29
識別子（ID）:[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
JY1
JY1
表記:bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
組成式:C36 H74 N6 O6 P4 Rh
SMILES:C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC
InChi:InChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19
定義日:2018-10-16
最終更新日:2020-01-18
公開日:2019-02-06
識別子（ID）:bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium (non-preferred name)
JPE
JPE
表記:[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
組成式:C18 H22 N8 O8 S
SMILES:N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(nc23)c4cccnc4
InChi:InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
定義日:2019-03-14
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
JPT
JPT
表記:6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one
組成式:C11 H10 O4 S
SMILES:OCC1=CC(=O)C(=C(Cc2cscc2)O1)O
InChi:InChI=1S/C11H10O4S/c12-5-8-4-9(13)11(14)10(15-8)3-7-1-2-16-6-7/h1-2,4,6,12,14H,3,5H2
定義日:2019-03-15
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one
N72
N72
表記:(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
組成式:C11 H19 N O9
SMILES:OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O
InChi:InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10-/m1/s1
定義日:2019-11-14
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
N7T
N7T
表記:(2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
組成式:C11 H19 N O9
SMILES:OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O)=O)C(O)=O
InChi:InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10+/m0/s1
定義日:2019-11-14
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
KJT
KJT
表記:diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
組成式:C44 H63 N4 O6 S
SMILES:CC[N+](CC)=C1CCC2CC(C(O)NCCOCCOCCN(C[CH]3CCCN(C3)Cc4ccccc4)[S](=O)(=O)c5ccc6ccccc6c5)C(=O)CC2C1
InChi:InChI=1S/C44H63N4O6S/c1-3-47(4-2)40-18-16-38-29-42(43(49)30-39(38)27-40)44(50)45-20-23-53-25-26-54-24-22-48(55(51,52)41-19-17-36-14-8-9-15-37(36)28-41)33-35-13-10-21-46(32-35)31-34-11-6-5-7-12-34/h5-9,11-12,14-15,17,19,28,35,38-39,42,44-45,50H,3-4,10,13,16,18,20-27,29-33H2,1-2H3/q+1/t35-,38?,39?,42?,44?/m1/s1
定義日:2019-05-28
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
KUD
KUD
表記:[(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid
組成式:C14 H16 O3
SMILES:C2CCC(C(=O)c1ccccc1)C2CC(O)=O
InChi:InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m0/s1
定義日:2019-01-16
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:[(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid
KUG
KUG
表記:[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid
組成式:C14 H16 O3
SMILES:C2CCC(C(c1ccccc1)=O)C2CC(O)=O
InChi:InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m1/s1
定義日:2019-01-16
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid
M2E
M2E
表記:(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone
組成式:C12 H14 Cl N O2
SMILES:O[CH]1CCCN(C1)C(=O)c2ccc(Cl)cc2
InChi:InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2/t11-/m0/s1
定義日:2019-10-02
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone
M2H
M2H
表記:3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile
組成式:C7 H8 N2
SMILES:Cc1[nH]c(C#N)c(C)c1
InChi:InChI=1S/C7H8N2/c1-5-3-6(2)9-7(5)4-8/h3,9H,1-2H3
定義日:2019-10-02
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:3,5-dimethyl-1~{H}-pyrrole-2-carbonitrile
M2K
M2K
表記:4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid
組成式:C8 H10 N2 O2
SMILES:OC(=O)c1[nH]nc2CCCCc12
InChi:InChI=1S/C8H10N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)(H,11,12)
定義日:2019-10-02
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid
OZ4
OZ4
表記:(7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
組成式:C27 H33 N3 O2
SMILES:C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)nc6c5ccc7OC(C=Cc67)(C)C
InChi:InChI=1S/C27H33N3O2/c1-15-9-11-30-14-26-12-18-16-6-7-19-17(8-10-24(2,3)32-19)21(16)28-22(18)25(4,5)20(26)13-27(15,30)23(31)29-26/h6-8,10,15,20,28H,9,11-14H2,1-5H3,(H,29,31)/t15-,20-,26+,27+/m0/s1
定義日:2019-07-22
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
OZ7
OZ7
表記:(8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
組成式:C27 H33 N3 O3
SMILES:C127C(CCN1CC6(NC2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)(C)C6C7)C
InChi:InChI=1S/C27H33N3O3/c1-15-8-10-30-14-26-12-17-16-6-7-18-21(32-11-9-24(2,3)33-18)20(16)28-22(17)25(4,5)19(26)13-27(15,30)23(31)29-26/h6-7,9,11,15,19,28H,8,10,12-14H2,1-5H3,(H,29,31)/t15-,19-,26+,27+/m0/s1
定義日:2019-07-22
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
OZA
OZA
表記:(5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
組成式:C21 H24 Br N3 O
SMILES:C314NC(C2(CCCN2C1)CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O
InChi:InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
定義日:2019-07-22
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:(5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
KXG
KXG
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
組成式:C15 H23 N5 O13 P2 S
SMILES:C2(C(C(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)S)O)O)O2)O)O)n4c3c(c(ncn3)N)nc4
InChi:InChI=1S/C15H23N5O13P2S/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(36)32-6/h3-6,8-11,14-15,21-24,36H,1-2H2,(H,25,26)(H,27,28)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
定義日:2019-01-23
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-sulfanyltetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
KXJ
KXJ
表記:N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide
組成式:C31 H53 N3 O4 S
SMILES:C(Nc1ccccc1)(=O)C(CCCCNC(CCCCCCCCCCCCC)=S)NC(=O)CCOCCO
InChi:InChI=1S/C31H53N3O4S/c1-2-3-4-5-6-7-8-9-10-11-15-21-30(39)32-23-17-16-20-28(34-29(36)22-25-38-26-24-35)31(37)33-27-18-13-12-14-19-27/h12-14,18-19,28,35H,2-11,15-17,20-26H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t28-/m0/s1
定義日:2019-01-23
最終更新日:2020-01-17
公開日:2020-01-22
識別子（ID）:N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide

223166

件を2024-07-31に公開中

PDB statisticsPDBj update infoContact PDBjnumon