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
SS7
SS7
表記:4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
組成式:C21 H21 N O5
SMILES:O=C(Oc3cc(c(OCC(N2C(=O)c1ccccc1C2=O)C)c(c3)C)C)C
InChi:InChI=1S/C21H21NO5/c1-12-9-16(27-15(4)23)10-13(2)19(12)26-11-14(3)22-20(24)17-7-5-6-8-18(17)21(22)25/h5-10,14H,11H2,1-4H3/t14-/m0/s1
定義日:2014-01-07
最終更新日:2014-12-26
公開日:2014-12-31
識別子（ID）:4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
I13
I13
表記:1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
組成式:C20 H24 Cl N5 O4
SMILES:O=[N+]([O-])c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NOCCN)C)c2)(C)C
InChi:InChI=1S/C20H24ClN5O4/c1-13(25-30-10-9-22)14-5-4-6-15(11-14)20(2,3)24-19(27)23-16-7-8-17(21)18(12-16)26(28)29/h4-8,11-12H,9-10,22H2,1-3H3,(H2,23,24,27)/b25-13+
定義日:2014-11-26
最終更新日:2014-12-26
公開日:2014-12-31
識別子（ID）:1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
Y69
Y69
表記:11-[2-(2-ethoxyethoxy)ethoxy]undecanal
組成式:C17 H34 O4
SMILES:O=CCCCCCCCCCCOCCOCCOCC
InChi:InChI=1S/C17H34O4/c1-2-19-14-15-21-17-16-20-13-11-9-7-5-3-4-6-8-10-12-18/h12H,2-11,13-17H2,1H3
定義日:2014-05-06
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:11-[2-(2-ethoxyethoxy)ethoxy]undecanal
W13
W13
表記:(5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
組成式:C23 H22 Cl3 N O3 S
SMILES:Clc4ccccc4SC3=C(O)CC(c2c(Cl)c(NC1CCOCC1)ccc2Cl)CC3=O
InChi:InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2/t13-/m1/s1
定義日:2014-08-26
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
W31
W31
表記:(1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate
組成式:C28 H23 Cl3 O4 S
SMILES:O=C(OC(c1ccccc1)C)Cc4cc(SC3=C(O)CC(c2c(Cl)cccc2Cl)CC3=O)c(Cl)cc4
InChi:InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19-/m0/s1
定義日:2014-08-26
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate
L5Z
L5Z
表記:(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
組成式:C19 H20 F N5
SMILES:Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m1/s1
定義日:2014-10-21
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
K9L
K9L
表記:(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
組成式:C19 H20 F N5
SMILES:Fc1cccc(c1)CC4CC4NCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2/t15-,18-/m0/s1
定義日:2014-10-21
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
2Q8
2Q8
表記:4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide
組成式:C21 H25 N3 O2
SMILES:O=C(N)c4ccc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc4
InChi:InChI=1S/C21H25N3O2/c1-21(2)10-16-19(18(25)11-21)15-8-9-23(3)12-17(15)24(16)14-6-4-13(5-7-14)20(22)26/h4-7H,8-12H2,1-3H3,(H2,22,26)
定義日:2014-01-07
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide
2QK
2QK
表記:N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide
組成式:C29 H31 Cl N4 O2
SMILES:Clc1ccccc1C(NC(=O)c2cc3c(cc2)nnc3c5ccc(OC4CCN(C)CC4)cc5)CC
InChi:InChI=1S/C29H31ClN4O2/c1-3-26(23-6-4-5-7-25(23)30)31-29(35)20-10-13-27-24(18-20)28(33-32-27)19-8-11-21(12-9-19)36-22-14-16-34(2)17-15-22/h4-13,18,22,26H,3,14-17H2,1-2H3,(H,31,35)(H,32,33)/t26-/m1/s1
定義日:2014-01-08
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide
2VS
2VS
表記:(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
組成式:C6 H6 O4
SMILES:O=C(O)C(O)=CC=CC=O
InChi:InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
定義日:2014-02-26
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
1UD
1UD
表記:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside
組成式:C18 H24 N6 O5
SMILES:O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(O)C4OC)NC)N
InChi:InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-14(27-2)13(25)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1
定義日:2013-06-06
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-O-methyl-beta-D-ribo-hexofuranoside
1VT
1VT
表記:N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
組成式:C28 H27 N3 O2 S
SMILES:O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CCNCc4ccccc4
InChi:InChI=1S/C28H27N3O2S/c32-25(16-17-29-18-21-10-4-1-5-11-21)31-28-26(24(20-34-28)23-14-8-3-9-15-23)27(33)30-19-22-12-6-2-7-13-22/h1-15,20,29H,16-19H2,(H,30,33)(H,31,32)
定義日:2013-06-24
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
1WJ
1WJ
表記:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-O-methyl-beta-D-ribo-hexofuranoside
組成式:C18 H24 N6 O5
SMILES:O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(OC)C4O)NC)N
InChi:InChI=1S/C18H24N6O5/c1-20-18-21-9-6-8-11(22-17(19)24-15(8)26)7(12(9)23-18)4-5-10-13(25)14(27-2)16(28-3)29-10/h6,10,13-14,16,25H,4-5H2,1-3H3,(H2,20,21,23)(H3,19,22,24,26)/t10-,13-,14-,16-/m1/s1
定義日:2013-07-10
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-O-methyl-beta-D-ribo-hexofuranoside
1WK
1WK
表記:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-D-ribo-hexofuranoside
組成式:C17 H22 N6 O5
SMILES:O=C1NC(=Nc3c1cc2nc(nc2c3CCC4OC(OC)C(O)C4O)NC)N
InChi:InChI=1S/C17H22N6O5/c1-19-17-20-8-5-7-10(21-16(18)23-14(7)26)6(11(8)22-17)3-4-9-12(24)13(25)15(27-2)28-9/h5,9,12-13,15,24-25H,3-4H2,1-2H3,(H2,19,20,22)(H3,18,21,23,26)/t9-,12-,13-,15-/m1/s1
定義日:2013-07-10
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-D-ribo-hexofuranoside
3WA
3WA
表記:4-aminopyrido[2,3-d]pyrimidin-5(8H)-one
組成式:C7 H6 N4 O
SMILES:O=C2c1c(ncnc1N)NC=C2
InChi:InChI=1S/C7H6N4O/c8-6-5-4(12)1-2-9-7(5)11-3-10-6/h1-3H,(H3,8,9,10,11,12)
定義日:2014-11-25
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:4-aminopyrido[2,3-d]pyrimidin-5(8H)-one
3WN
3WN
表記:4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one
組成式:C13 H11 N5 O
SMILES:O=C3c1c(ncnc1Nc2cccc(N)c2)NC=C3
InChi:InChI=1S/C13H11N5O/c14-8-2-1-3-9(6-8)18-13-11-10(19)4-5-15-12(11)16-7-17-13/h1-7H,14H2,(H2,15,16,17,18,19)
定義日:2014-11-27
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one
3WO
3WO
表記:4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one
組成式:C13 H11 N5 O
SMILES:O=C1c2c(ncnc2N=CC1)Nc3cccc(N)c3
InChi:InChI=1S/C13H11N5O/c14-8-2-1-3-9(6-8)18-13-11-10(19)4-5-15-12(11)16-7-17-13/h1-3,5-7H,4,14H2,(H,16,17,18)
定義日:2014-11-27
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one
3WR
3WR
表記:1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
組成式:C21 H14 F4 N6 O2
SMILES:FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc2ccc(cc2)N4c3ncnc(c3C(=O)C=C4)N
InChi:InChI=1S/C21H14F4N6O2/c22-14-6-1-11(21(23,24)25)9-15(14)30-20(33)29-12-2-4-13(5-3-12)31-8-7-16(32)17-18(26)27-10-28-19(17)31/h1-10H,(H2,26,27,28)(H2,29,30,33)
定義日:2014-12-01
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
3X1
3X1
表記:(2E)-dodec-2-enoic acid
組成式:C12 H22 O2
SMILES:O=C(O)/C=C/CCCCCCCCC
InChi:InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
定義日:2014-12-02
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(2E)-dodec-2-enoic acid
3YS
3YS
表記:N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
組成式:C18 H16 F2 N4 O2 S
SMILES:Fc1ccc(nc1)C(=O)Nc2cc(c(F)cc2)C43N=C(SCC3COC4)N
InChi:InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
定義日:2014-12-10
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
3ZE
3ZE
表記:{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
組成式:C11 H15 N6 O6 P
SMILES:O=C(N3CC(n1c2N=C(N)NC(=O)c2nc1)C(O)C3)CP(=O)(O)O
InChi:InChI=1S/C11H15N6O6P/c12-11-14-9-8(10(20)15-11)13-4-17(9)5-1-16(2-6(5)18)7(19)3-24(21,22)23/h4-6,18H,1-3H2,(H2,21,22,23)(H3,12,14,15,20)/t5-,6+/m0/s1
定義日:2014-12-16
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:{2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
6OA
6OA
表記:(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid
組成式:C6 H8 O4
SMILES:O=C(O)C(O)=CC=CCO
InChi:InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-
定義日:2013-12-17
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid
BZY
BZY
表記:(2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
組成式:C21 H27 N5 O3
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(N)CCc2ccc(O)cc2)C
InChi:InChI=1S/C21H27N5O3/c1-13(20(28)25-12-15-2-7-16(8-3-15)19(23)24)26-21(29)18(22)11-6-14-4-9-17(27)10-5-14/h2-5,7-10,13,18,27H,6,11-12,22H2,1H3,(H3,23,24)(H,25,28)(H,26,29)/t13-,18+/m0/s1
定義日:2013-09-23
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
3KS
3KS
表記:N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine
組成式:C17 H28 N4 O9
SMILES:O=C(NC(C(=O)O)CCCC(C(=O)O)N)CCC(C(=O)O)NC(=O)C(NC(=O)C)C
InChi:InChI=1S/C17H28N4O9/c1-8(19-9(2)22)14(24)21-12(17(29)30)6-7-13(23)20-11(16(27)28)5-3-4-10(18)15(25)26/h8,10-12H,3-7,18H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)(H,27,28)(H,29,30)/t8-,10+,11-,12+/m0/s1
定義日:2014-09-08
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine
3LN
3LN
表記:(4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
組成式:C24 H24 N4 O3
SMILES:O4c2ccc(c1cncnc1)cc2C3(N=C(OC3)N)c5c4ccc(OCC(C)(C)C)c5
InChi:InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
定義日:2014-09-16
最終更新日:2014-12-19
公開日:2014-12-24
識別子（ID）:(4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon