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
F6E
F6E
表記:(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
組成式:C25 H28 N4 O2
SMILES:CCCN1CCN(C[CH](Cc2ccc(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4
InChi:InChI=1S/C25H28N4O2/c1-2-12-28-13-14-29(25(31)23-16-26-18-27-23)17-22(24(28)30)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,16,18,22H,2,12-15,17H2,1H3,(H,26,27)/t22-/m0/s1
定義日:2018-06-01
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
J2N
J2N
表記:(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
組成式:C13 H16 N4 O2
SMILES:NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1
定義日:2019-01-16
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
J2Q
J2Q
表記:~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
組成式:C16 H17 N3 O3
SMILES:CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
InChi:InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21)
定義日:2019-01-16
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
J2W
J2W
表記:~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
組成式:C15 H15 N3 O3
SMILES:COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
InChi:InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)
定義日:2019-01-16
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
J3B
J3B
表記:(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
組成式:C13 H16 N4 O2
SMILES:NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1
定義日:2019-01-17
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
J9Y
J9Y
表記:(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
組成式:C7 H16 N4 O3
SMILES:NC(CCC/[N+](O)=C(/N)NC)C([O-])=O
InChi:InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1
定義日:2018-08-27
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
F8K
F8K
表記:[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
組成式:C23 H27 N2 O2
SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2
InChi:InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1
定義日:2018-06-08
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
F8N
F8N
表記:~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
組成式:C26 H31 N3 O3
SMILES:COc1cccc(c1)c2cccc(CC3(CCOCC3)C(=O)NCCCn4ccnc4)c2
InChi:InChI=1S/C26H31N3O3/c1-31-24-8-3-7-23(18-24)22-6-2-5-21(17-22)19-26(9-15-32-16-10-26)25(30)28-11-4-13-29-14-12-27-20-29/h2-3,5-8,12,14,17-18,20H,4,9-11,13,15-16,19H2,1H3,(H,28,30)
定義日:2018-06-08
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
F8Q
F8Q
表記:[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
組成式:C23 H26 F N2 O2
SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F
InChi:InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1
定義日:2018-06-08
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
F8T
F8T
表記:[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
組成式:C22 H25 N2 O
SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2
InChi:InChI=1S/C22H24N2O/c1-24(2)16-17-7-11-20(12-8-17)23-21-13-9-18(10-14-21)19-5-4-6-22(15-19)25-3/h4-15,23H,16H2,1-3H3/p+1
定義日:2018-06-08
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
FD7
FD7
表記:N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
組成式:C14 H22 N4 O
SMILES:c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC
InChi:InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
定義日:2018-03-23
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
FFS
FFS
表記:N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
組成式:C19 H15 Cl N4 O
SMILES:n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
InChi:InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
定義日:2018-03-28
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
FFV
FFV
表記:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
組成式:C19 H18 Cl F N4
SMILES:n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4
InChi:InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1
定義日:2018-03-29
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
FFY
FFY
表記:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
組成式:C24 H25 Cl F N5
SMILES:n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C
InChi:InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1
定義日:2018-03-29
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
FGD
FGD
表記:N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
組成式:C21 H21 N5 O6
SMILES:c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
InChi:InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
定義日:2018-03-29
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
FGE
FGE
表記:~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
組成式:C14 H12 N4 O4 S2
SMILES:CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
InChi:InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
定義日:2018-06-28
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
99L
99L
表記:1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
組成式:C18 H20 N2 O4 S
SMILES:CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4
InChi:InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1
定義日:2018-02-07
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:1-ethyl-6-[(3~{R})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
99O
99O
表記:1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
組成式:C18 H20 N2 O4 S
SMILES:CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4
InChi:InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m0/s1
定義日:2018-02-07
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:1-ethyl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
99R
99R
表記:6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
組成式:C18 H21 N3 O3 S
SMILES:CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4
InChi:InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1
定義日:2018-02-07
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:6-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
99U
99U
表記:1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
組成式:C17 H18 N2 O3 S
SMILES:CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4
InChi:InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3
定義日:2018-02-07
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
99X
99X
表記:1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
組成式:C18 H20 N2 O4 S
SMILES:CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO
InChi:InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1
定義日:2018-02-07
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:1-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
JXP
JXP
表記:7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
組成式:C18 H13 Cl F N5 O
SMILES:c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
InChi:InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
定義日:2018-10-09
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
JXS
JXS
表記:7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
組成式:C16 H15 N7 O
SMILES:c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
InChi:InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
定義日:2018-10-09
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
BOQ
BOQ
表記:ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
組成式:C12 H19 N O3
SMILES:CCOC(=O)c1cc(oc1CN)C(C)(C)C
InChi:InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
定義日:2017-10-12
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
BPW
BPW
表記:3-(4-chlorophenyl)propan-1-amine
組成式:C9 H12 Cl N
SMILES:NCCCc1ccc(Cl)cc1
InChi:InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
定義日:2017-10-12
最終更新日:2019-02-01
公開日:2019-02-06
識別子（ID）:3-(4-chlorophenyl)propan-1-amine

233249

件を2025-03-19に公開中

PDB statisticsPDBj update infoContact PDBjnumon