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
9K1
9K1
表記:(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
組成式:C21 H21 N5 O
SMILES:c31n(ccnc1NC(Cc2cccnc2)CO)c(cn3)c4ccc(C)cc4
InChi:InChI=1S/C21H21N5O/c1-15-4-6-17(7-5-15)19-13-24-21-20(23-9-10-26(19)21)25-18(14-27)11-16-3-2-8-22-12-16/h2-10,12-13,18,27H,11,14H2,1H3,(H,23,25)/t18-/m0/s1
定義日:2017-05-16
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
A6Y
A6Y
表記:(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
組成式:C22 H21 N3 O
SMILES:c1cccc3c1n(Cc2c(ccc(c2)C)C)c(n3)C(O)c4ccncc4
InChi:InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1
定義日:2017-07-08
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
A7A
A7A
表記:(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
組成式:C26 H25 N5 O
SMILES:OC(c1n(c2c(n1)ccc(c2)c3cnn(c3)C)Cc4c(ccc(c4)C)C)c5ccncc5
InChi:InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3/t25-/m1/s1
定義日:2017-07-08
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol
A7M
A7M
表記:{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol
組成式:C17 H18 N2 O
SMILES:c3(Cn1c(CO)nc2ccccc12)cc(C)ccc3C
InChi:InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3
定義日:2017-07-08
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol
JAT
JAT
表記:4-(2-azanylethyl)benzenesulfonic acid
組成式:C8 H11 N O3 S
SMILES:NCCc1ccc(cc1)[S](O)(=O)=O
InChi:InChI=1S/C8H11NO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
定義日:2019-02-13
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:4-(2-azanylethyl)benzenesulfonic acid
JAV
JAV
表記:4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
組成式:C20 H17 F N2 O4 S
SMILES:c1(cc(ccc1)O)S(NNC(c2cc(cc(C)c2F)c3ccccc3)=O)(=O)=O
InChi:InChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)
定義日:2018-08-28
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
M0M
M0M
表記:(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one
組成式:C13 H21 N5 O2 S2
SMILES:C1COCCN1CCSC3NC2=C(C(N(C(=O)N2C)C)=S)N3
InChi:InChI=1S/C13H21N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h12,14-15H,3-8H2,1-2H3/t12-/m0/s1
定義日:2019-03-18
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one
M0P
M0P
表記:1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
組成式:C13 H19 N5 O3 S
SMILES:C1COCCN1CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3
InChi:InChI=1S/C13H19N5O3S/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-8-5-18-3-6-21-7-4-18/h3-8H2,1-2H3,(H,14,15)
定義日:2019-03-18
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
M0S
M0S
表記:1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one
組成式:C13 H19 N5 O S2
SMILES:c12C(N(C(=O)N(C)c1nc(n2)SCCN3CCCC3)C)=S
InChi:InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
定義日:2019-03-18
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one
M0V
M0V
表記:7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
組成式:C14 H21 N5 O4
SMILES:O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C
InChi:InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1
定義日:2019-03-18
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
M1D
M1D
表記:4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid
組成式:C11 H14 N4 O4
SMILES:O=C1N(C(=O)c2c(N1C)ncn2CCCC(O)=O)C
InChi:InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
定義日:2019-03-18
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid
M3B
M3B
表記:(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine
組成式:C8 H22 N4 O
SMILES:COCCN[CH](N)NCCCCN
InChi:InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1
定義日:2019-10-02
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine
B5C
B5C
表記:2-oxo-2H-1,3-benzoxathiol-5-yl acetate
組成式:C9 H6 O4 S
SMILES:C2(Sc1cc(OC(C)=O)ccc1O2)=O
InChi:InChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3
定義日:2019-01-15
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:2-oxo-2H-1,3-benzoxathiol-5-yl acetate
JVZ
JVZ
表記:(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol
組成式:C19 H20 N2 O2
SMILES:O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34
InChi:InChI=1S/C19H20N2O2/c22-16(11-21-13-20-18-6-1-2-7-19(18)21)12-23-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,13,16,22H,3-5,11-12H2/t16-/m0/s1
定義日:2019-04-05
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol
71O
71O
表記:pyrimidin-2-ol
組成式:C4 H4 N2 O
SMILES:c1ccnc(n1)O
InChi:InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
定義日:2016-08-11
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:pyrimidin-2-ol
OZG
OZG
表記:[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
組成式:C17 H14 O5
SMILES:c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
InChi:InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)
定義日:2019-07-22
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
OZM
OZM
表記:(6-benzyl-1-benzofuran-3-yl)acetic acid
組成式:C17 H14 O3
SMILES:C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3
InChi:InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
定義日:2019-07-22
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(6-benzyl-1-benzofuran-3-yl)acetic acid
P4S
P4S
表記:(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
組成式:C24 H32 O5
SMILES:C12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=C3)CC5C46O5)C)O
InChi:InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
定義日:2019-07-30
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
P57
P57
表記:3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
組成式:C18 H15 N3
SMILES:c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4
InChi:InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2
定義日:2019-07-31
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
P5G
P5G
表記:4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
組成式:C20 H24 O5
SMILES:c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
InChi:InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
定義日:2019-07-31
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
XJ2
XJ2
表記:(2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
組成式:C14 H22 N2 O
SMILES:CNC[CH](O)CN1CCCc2ccccc2C1
InChi:InChI=1S/C14H22N2O/c1-15-9-14(17)11-16-8-4-7-12-5-2-3-6-13(12)10-16/h2-3,5-6,14-15,17H,4,7-11H2,1H3/t14-/m1/s1
定義日:2019-01-10
最終更新日:2019-12-20
公開日:2019-12-25
識別子（ID）:(2~{R})-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
NJZ
NJZ
表記:[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
組成式:C10 H13 Br N4 S2
SMILES:NC(=N)SCc1cc(Br)cc(CSC(N)=N)c1
InChi:InChI=1S/C10H13BrN4S2/c11-8-2-6(4-16-9(12)13)1-7(3-8)5-17-10(14)15/h1-3H,4-5H2,(H3,12,13)(H3,14,15)
定義日:2019-12-02
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
NK5
NK5
表記:~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
組成式:C9 H8 N4 O2
SMILES:ONC(=O)c1cn(nn1)c2ccccc2
InChi:InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14)
定義日:2019-12-03
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
NO5
NO5
表記:(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
組成式:C5 H12 N2 O4 S
SMILES:CC(C)[CH](N[S](N)(=O)=O)C(O)=O
InChi:InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m0/s1
定義日:2019-12-09
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
NQ1
NQ1
表記:10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
組成式:C20 H15 F N2 O
SMILES:c32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O
InChi:InChI=1S/C20H15FN2O/c21-15-10-11-18-19(12-15)23(13-14-6-2-1-3-7-14)20(24)16-8-4-5-9-17(16)22-18/h1-12,22H,13H2
定義日:2019-05-23
最終更新日:2019-12-13
公開日:2019-12-18
識別子（ID）:10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon