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
JLB
JLB
表記:(2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid
組成式:C19 H17 N3 O3 S
SMILES:CCc1sc2ncnc(O[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3
InChi:InChI=1S/C19H17N3O3S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(25-10(2)19(23)24)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,23,24)/t10-/m1/s1
定義日:2019-03-09
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid
JLE
JLE
表記:(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
組成式:C25 H22 N4 O2 S
SMILES:CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc5[nH]ccc45
InChi:InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1
定義日:2019-03-09
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
JLH
JLH
表記:(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
組成式:C31 H35 Cl N4 O4 S
SMILES:CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C
InChi:InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1
定義日:2019-03-09
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
JLK
JLK
表記:(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
組成式:C24 H23 N3 O2 S
SMILES:CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C
InChi:InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1
定義日:2019-03-11
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
JNW
JNW
表記:2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
組成式:C13 H12 N2 O5
SMILES:OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O
InChi:InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
JO2
JO2
表記:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
組成式:C12 H9 N3 O7
SMILES:OC(=O)c1ccc(cc1C(=O)N[CH]2CC(=O)NC2=O)[N+]([O-])=O
InChi:InChI=1S/C12H9N3O7/c16-9-4-8(11(18)14-9)13-10(17)7-3-5(15(21)22)1-2-6(7)12(19)20/h1-3,8H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t8-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
JO5
JO5
表記:4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
組成式:C12 H9 N3 O4
SMILES:Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
InChi:InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
JO8
JO8
表記:3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
組成式:C12 H11 N3 O5
SMILES:Nc1cccc(C(O)=O)c1C(=O)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C12H11N3O5/c13-6-3-1-2-5(12(19)20)9(6)11(18)14-7-4-8(16)15-10(7)17/h1-3,7H,4,13H2,(H,14,18)(H,19,20)(H,15,16,17)/t7-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
JOB
JOB
表記:5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
組成式:C12 H9 N3 O4
SMILES:Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1
InChi:InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
JOE
JOE
表記:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
組成式:C12 H9 N3 O7
SMILES:OC(=O)c1c(cccc1[N+]([O-])=O)C(=O)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C12H9N3O7/c16-8-4-6(11(18)14-8)13-10(17)5-2-1-3-7(15(21)22)9(5)12(19)20/h1-3,6H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t6-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
JOH
JOH
表記:2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
組成式:C12 H7 N3 O6
SMILES:[O-][N+](=O)c1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
InChi:InChI=1S/C12H7N3O6/c16-8-4-7(10(17)13-8)14-11(18)5-2-1-3-6(15(20)21)9(5)12(14)19/h1-3,7H,4H2,(H,13,16,17)/t7-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
JOK
JOK
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
組成式:C13 H14 N2 O3
SMILES:O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
JON
JON
表記:[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C10 H15 N3 O4
SMILES:O=C1C[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:InChI=1S/C10H15N3O4/c14-8-4-7(9(15)13-8)12-10(16)17-5-6-2-1-3-11-6/h6-7,11H,1-5H2,(H,12,16)(H,13,14,15)/t6-,7-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JOQ
JOQ
表記:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C13 H15 N3 O4
SMILES:NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JOT
JOT
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
組成式:C12 H12 N2 O3
SMILES:O=C1C[CH](NC(=O)Cc2ccccc2)C(=O)N1
InChi:InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
JOW
JOW
表記:4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
組成式:C17 H19 N3 O7
SMILES:OC(=O)CCC(=O)NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:InChI=1S/C17H19N3O7/c21-13(5-6-15(23)24)18-8-10-1-3-11(4-2-10)9-27-17(26)19-12-7-14(22)20-16(12)25/h1-4,12H,5-9H2,(H,18,21)(H,19,26)(H,23,24)(H,20,22,25)/t12-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
JP5
JP5
表記:(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C12 H12 N2 O4
SMILES:O=C1C[CH](NC(=O)OCc2ccccc2)C(=O)N1
InChi:InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JP8
JP8
表記:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C11 H17 N3 O4
SMILES:O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JPB
JPB
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
組成式:C11 H7 Cl3 N2 O3
SMILES:Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1
InChi:InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
JPQ
JPQ
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
組成式:C9 H12 N2 O3
SMILES:CC(C)=CC(=O)N[CH]1CC(=O)NC1=O
InChi:InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
JPW
JPW
表記:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C13 H21 N3 O4
SMILES:N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O
InChi:InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JQP
JQP
表記:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c2(nc(Nc1cc(C)cc(C)c1)ncc2)c5c(c3ccc(F)cc3)ncn5C4CCNCC4
InChi:InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
定義日:2018-09-17
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
JQY
JQY
表記:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c4(c3c(c1ccc(F)cc1)ncn3C2CCNCC2)ccnc(n4)Nc5ccc(c(C)c5)C
InChi:InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
定義日:2018-09-18
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
LUY
LUY
表記:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
組成式:C15 H15 N3
SMILES:C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
InChi:InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
J3G
J3G
表記:2-hydroxypropane-1,3-diyl dibutanoate
組成式:C11 H20 O5
SMILES:CCCC(OCC(COC(=O)CCC)O)=O
InChi:InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
定義日:2018-08-06
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-hydroxypropane-1,3-diyl dibutanoate

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon