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
U1Z
U1Z
表記:4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
組成式:C20 H19 N7
SMILES:Cn1cc(CCn2cnc(c3cnn(C)c3)c2c4ccc(cc4)C#N)cn1
InChi:InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
別名:BAZ2-ICR
定義日:2021-01-18
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
U2E
U2E
表記:methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
組成式:C25 H31 N3 O6
SMILES:CCOc1ccc(cc1NC(=O)c2ccc(OCCN3CCNCC3)c(c2)C(=O)OC)C(C)=O
InChi:InChI=1S/C25H31N3O6/c1-4-33-23-8-5-18(17(2)29)16-21(23)27-24(30)19-6-7-22(20(15-19)25(31)32-3)34-14-13-28-11-9-26-10-12-28/h5-8,15-16,26H,4,9-14H2,1-3H3,(H,27,30)
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
U2K
U2K
表記:1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
組成式:C16 H15 N3 O2
SMILES:CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34
InChi:InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
U2Q
U2Q
表記:2-[(3-Nitro-2-pyridyl)thio]acetic acid
組成式:C7 H6 N2 O4 S
SMILES:OC(=O)CSc1ncccc1[N+]([O-])=O
InChi:InChI=1S/C7H6N2O4S/c10-6(11)4-14-7-5(9(12)13)2-1-3-8-7/h1-3H,4H2,(H,10,11)
別名:2-[3-[bis(oxidanyl)amino]pyridin-2-yl]sulfanylethanoic acid
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:2-(3-nitropyridin-2-yl)sulfanylethanoic acid
U2T
U2T
表記:3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
組成式:C13 H16 N4 O2
SMILES:CC(C)(C)c1ccc(cc1)c2noc(n2)C(=O)NN
InChi:InChI=1S/C13H16N4O2/c1-13(2,3)9-6-4-8(5-7-9)10-15-12(19-17-10)11(18)16-14/h4-7H,14H2,1-3H3,(H,16,18)
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
U2W
U2W
表記:4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one
組成式:C4 H Cl2 N3 O3
SMILES:ClC1=C(Cl)C(=NNC1=O)[N](=O)=O
InChi:InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one
U35
U35
表記:(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
組成式:C24 H29 N5 O3
SMILES:CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[CH](C(C)C)C(O)=O
InChi:InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
別名:(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
U3N
U3N
表記:1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
組成式:C13 H12 F N3 O2 S Se
SMILES:N[S](=O)(=O)c1ccc(NC(=[Se])Nc2ccc(F)cc2)cc1
InChi:InChI=1S/C13H12FN3O2SSe/c14-9-1-3-10(4-2-9)16-13(21)17-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21)
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
U3Q
U3Q
表記:1-Naphthalenepentanoic acid
組成式:C15 H16 O2
SMILES:OC(=O)CCCCc1cccc2ccccc12
InChi:InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17)
別名:5-naphthalen-1-ylpentanoic acid
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:5-naphthalen-1-ylpentanoic acid
U3T
U3T
表記:6-(2-prop-2-ynoxyphenyl)hexanoic acid
組成式:C15 H18 O3
SMILES:OC(=O)CCCCCc1ccccc1OCC#C
InChi:InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)
別名:Benzenehexanoic acid, 2-(2-propyn-1-yloxy)-
定義日:2021-01-19
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:6-(2-prop-2-ynoxyphenyl)hexanoic acid
U3W
U3W
表記:2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
組成式:C10 H10 N2 O2 S
SMILES:CN1SC(=O)N(Cc2ccccc2)C1=O
InChi:InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
定義日:2021-01-20
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
U4K
U4K
表記:2-isoquinolin-1-ylsulfanylethanoic acid
組成式:C11 H9 N O2 S
SMILES:OC(=O)CSc1nccc2ccccc12
InChi:InChI=1S/C11H9NO2S/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11/h1-6H,7H2,(H,13,14)
別名:(Isoquinolin-1-ylsulfanyl)-acetic acid
定義日:2021-01-21
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:2-isoquinolin-1-ylsulfanylethanoic acid
U4T
U4T
表記:4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
組成式:C13 H10 O2 S
SMILES:OC(=O)c1sc2c(CCc3ccccc23)c1
InChi:InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
別名:4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
定義日:2021-01-21
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
TQH
TQH
表記:~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
組成式:C12 H12 N4 O S
SMILES:Cc1oc(CNc2[nH]c(nn2)c3sccc3)cc1
InChi:InChI=1S/C12H12N4OS/c1-8-4-5-9(17-8)7-13-12-14-11(15-16-12)10-3-2-6-18-10/h2-6H,7H2,1H3,(H2,13,14,15,16)
定義日:2021-01-12
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
U58
U58
表記:3-(quinazolin-4-ylsulfanyl)propanoic acid
組成式:C11 H10 N2 O2 S
SMILES:OC(=O)CCSc1ncnc2ccccc12
InChi:InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)
別名:3-quinazolin-4-ylsulfanylpropanoic acid
定義日:2021-01-21
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:3-quinazolin-4-ylsulfanylpropanoic acid
U5B
U5B
表記:2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
組成式:C14 H12 O2 S
SMILES:OC(=O)CSc1ccc2CCc3cccc1c23
InChi:InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)
別名:(Acenaphthen-5-ylsulfanyl)-acetic acid
定義日:2021-01-21
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
U5E
U5E
表記:N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide
組成式:C14 H13 N O S
SMILES:CNC(=O)c1sc2c(CCc3ccccc23)c1
InChi:InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16)
別名:~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
U5H
U5H
表記:(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
組成式:C10 H12 N2 O
SMILES:CN1[CH](CCC1=O)c2cccnc2
InChi:InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
U5T
U5T
表記:(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
組成式:C16 H15 N3 O2
SMILES:Cn1cc(cn1)C=C2N=C(OC2=O)c3ccc(C)c(C)c3
InChi:InChI=1S/C16H15N3O2/c1-10-4-5-13(6-11(10)2)15-18-14(16(20)21-15)7-12-8-17-19(3)9-12/h4-9H,1-3H3/b14-7+
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(4~{E})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
U5W
U5W
表記:1,25-Dihydroxy-16-ene-20-cyclopropyl-vitamin D3
組成式:C28 H42 O3
SMILES:CC(C)(O)CCCC1(CC1)C2=CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C
InChi:InChI=1S/C28H42O3/c1-19-21(17-22(29)18-24(19)30)9-8-20-7-5-13-27(4)23(20)10-11-25(27)28(15-16-28)14-6-12-26(2,3)31/h8-9,11,22-24,29-31H,1,5-7,10,12-18H2,2-4H3/b20-8+,21-9-/t22-,23+,24+,27+/m1/s1
別名:(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
定義日:2021-01-22
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[1-(4-methyl-4-oxidanyl-pentyl)cyclopropyl]-3~{a},5,6,7-tetrahydro-3~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
U5Z
U5Z
表記:1-[(4-fluorophenyl)amino]thiourea
組成式:C7 H8 F N3 S
SMILES:NC(=S)NNc1ccc(F)cc1
InChi:InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:1-[(4-fluorophenyl)amino]thiourea
U62
U62
表記:4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
組成式:C12 H8 O3 S
SMILES:OC(=O)c1sc2c(COc3ccccc23)c1
InChi:InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:4~{H}-thieno[3,2-c]chromene-2-carboxylic acid
U6K
U6K
表記:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
組成式:C20 H23 N5 O4
SMILES:N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O
InChi:InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
8QI
8QI
表記:({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
組成式:C11 H19 N5 O10 P2
SMILES:O=P(O)(O)COCC(OCC(O)P(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-4-16(9)1-6(2-25-5-27(19,20)21)26-3-7(17)28(22,23)24/h4,6-7,17H,1-3,5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7-/m0/s1
定義日:2021-09-24
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
U7T
U7T
表記:[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
組成式:C12 H14 N5 O6 P
SMILES:O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23
InChi:InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1
別名:7,8-dihydro-8-oxo-1,N6-ethenoadenine
定義日:2021-01-28
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon