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
S4D
S4D
表記:(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
組成式:C14 H19 N O2
SMILES:c1cc(cc2c1OCO2)CNC3CC(C)CC3
InChi:InChI=1S/C14H19NO2/c1-10-2-4-12(6-10)15-8-11-3-5-13-14(7-11)17-9-16-13/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
S4V
S4V
表記:~{N}2-pyridin-2-ylbenzene-1,2-diamine
組成式:C11 H11 N3
SMILES:Nc1ccccc1Nc2ccccn2
InChi:InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}2-pyridin-2-ylbenzene-1,2-diamine
S4Y
S4Y
表記:(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
組成式:C11 H13 Cl N2 O2
SMILES:c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2
InChi:InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
S5G
S5G
表記:(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
組成式:C6 H12 N2 O S2
SMILES:CN1C(=S)S[CH](NO)C1(C)C
InChi:InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
S64
S64
表記:(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
組成式:C14 H17 N O S
SMILES:COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23
InChi:InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1
定義日:2020-03-04
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
S7A
S7A
表記:3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
組成式:C7 H11 F3 N2 O
SMILES:FC(F)(F)CC(=O)N1CCNCC1
InChi:InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
S7G
S7G
表記:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
組成式:C11 H14 N2 O
SMILES:CC(=O)N[CH]1CNc2ccccc2C1
InChi:InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
S7J
S7J
表記:2-(trifluoromethyl)pyrimidine-5-carboxamide
組成式:C6 H4 F3 N3 O
SMILES:NC(=O)c1cnc(nc1)C(F)(F)F
InChi:InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-(trifluoromethyl)pyrimidine-5-carboxamide
S8D
S8D
表記:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
組成式:C10 H20 N2 O2
SMILES:CCNC(=O)CN1C[CH](C)OC[CH]1C
InChi:InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
S8G
S8G
表記:1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
組成式:C9 H15 F3 N2 O
SMILES:N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
InChi:InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
S8J
S8J
表記:3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
組成式:C11 H13 N5 O2
SMILES:CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
InChi:InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
S8P
S8P
表記:5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
組成式:C10 H14 N2 O2 S
SMILES:Cc1snc(c1)C(=O)NC[CH]2CCCO2
InChi:InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
S8V
S8V
表記:~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
組成式:C8 H15 N O
SMILES:C1C[CH](CNC2CC2)CO1
InChi:InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
定義日:2020-03-05
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
S9D
S9D
表記:2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
組成式:C13 H14 N4 O
SMILES:C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
S9G
S9G
表記:cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
組成式:C13 H20 N2 O3
SMILES:O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
S9M
S9M
表記:2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
組成式:C9 H10 F2 N2 O
SMILES:C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
S9S
S9S
表記:~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
組成式:C9 H12 F N O2 S
SMILES:C[S](=O)(=O)NCCc1ccc(F)cc1
InChi:InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
S9V
S9V
表記:1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
組成式:C11 H15 Cl N2 O2
SMILES:CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
定義日:2020-03-06
最終更新日:2020-04-17
公開日:2020-04-22
識別子（ID）:1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
G2Y
G2Y
表記:1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
組成式:C12 H19 Cl3 O8
SMILES:C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl
InChi:InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1
定義日:2018-05-03
最終更新日:2020-04-16
公開日:2018-08-08
識別子（ID）:1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
GNA
GNA
表記:2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID
組成式:C12 H22 N4 O7
SMILES:O=C(O)C1OC(C(O)C(O)CO)C(NC(=O)C)C(NC(=[N@H])N)C1
InChi:InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1
定義日:1999-07-08
最終更新日:2020-04-13
識別子（ID）:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-erythro-L-manno-nononic acid
NT2
NT2
表記:2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE
組成式:C6 H12 O18 S4
SMILES:O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
定義日:2004-04-20
最終更新日:2020-04-13
識別子（ID）:2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose
EDJ
EDJ
表記:2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
組成式:C21 H21 Br N4 O5
SMILES:c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C
InChi:InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
定義日:2018-01-02
最終更新日:2020-04-13
公開日:2018-05-09
識別子（ID）:2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
5KU
5KU
表記:(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid
組成式:C18 H31 N5 O10
SMILES:COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O
InChi:InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1
定義日:2015-10-15
最終更新日:2020-04-12
公開日:2016-03-02
識別子（ID）:(6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid
L1Q
L1Q
表記:2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
組成式:C9 H9 F4 N O2 S
SMILES:CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16)
定義日:2019-07-13
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
L2K
L2K
表記:3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
組成式:C11 H10 F2 N4
SMILES:Fc1ccc(cc1F)C2=NNC3=NCCN3C2
InChi:InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)
定義日:2019-07-16
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon