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
09Q
09Q
表記:1-(5-phenylpyridin-3-yl)-1,4-diazepane
組成式:C16 H19 N3
SMILES:n2cc(cc(c1ccccc1)c2)N3CCCNCC3
InChi:InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
定義日:2011-11-07
最終更新日:2011-12-09
識別子（ID）:1-(5-phenylpyridin-3-yl)-1,4-diazepane
09R
09R
表記:1-(6-bromopyridin-3-yl)-1,4-diazepane
組成式:C10 H14 Br N3
SMILES:Brc1ncc(cc1)N2CCCNCC2
InChi:InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
定義日:2011-11-07
最終更新日:2011-12-09
識別子（ID）:1-(6-bromopyridin-3-yl)-1,4-diazepane
09S
09S
表記:1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
組成式:C12 H18 Br N3 O
SMILES:Brc1ncc(cc1OCC)N2CCCNCC2
InChi:InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
定義日:2011-11-07
最終更新日:2011-12-09
識別子（ID）:1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
OHU
OHU
表記:2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
組成式:C9 H13 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O
InChi:InChI=1S/C9H13N2O9P/c12-4-1-7(20-6(4)3-19-21(16,17)18)11-2-5(13)8(14)10-9(11)15/h2,4,6-7,12-13H,1,3H2,(H,10,14,15)(H2,16,17,18)/t4-,6+,7+/m0/s1
定義日:2011-11-22
最終更新日:2011-12-09
識別子（ID）:2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
0BW
0BW
表記:methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
組成式:C21 H25 N3 O4
SMILES:O=C(OC)c2ccc(c(NC(=O)c1cccc(OC)c1)c2)N3CCN(C)CC3
InChi:InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
定義日:2011-11-28
最終更新日:2011-12-09
識別子（ID）:methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CFK
CFK
表記:3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
組成式:C12 H11 N3 O2 S
SMILES:O=C(c1sc(cc1NC(=O)N)c2ccccc2)N
InChi:InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)
定義日:2010-12-17
最終更新日:2011-12-09
識別子（ID）:3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
BS5
BS5
表記:5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
組成式:C20 H29 N9 O7 S2
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1
定義日:2011-05-10
最終更新日:2011-12-09
識別子（ID）:5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
I85
I85
表記:N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
組成式:C24 H22 F3 N5 O2
SMILES:FC(F)(F)c1cccc(c1)C(=O)Nc2nccc(c2)c5nc3c(C(=O)NCC34CNCCC4)c5
InChi:InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)/t23-/m0/s1
定義日:2011-06-17
最終更新日:2011-12-09
識別子（ID）:N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
IDL
IDL
表記:imidazo[1,2-a]pyridin-3-ylacetic acid
組成式:C9 H8 N2 O2
SMILES:O=C(O)Cc1cnc2ccccn12
InChi:InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)
定義日:2011-11-29
最終更新日:2011-12-09
識別子（ID）:imidazo[1,2-a]pyridin-3-ylacetic acid
AMP
AMP
表記:ADENOSINE MONOPHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-12-08
識別子（ID）:5'-adenylic acid
UR3
UR3
表記:3-METHYLURIDINE-5'-MONOPHOSHATE
組成式:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
InChi:InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
定義日:2004-03-17
最終更新日:2011-12-06
識別子（ID）:3-methyluridine 5'-(dihydrogen phosphate)
PIX
PIX
表記:4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
組成式:C19 H19 F3 N2 O3
SMILES:FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O)O)CC3
InChi:InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26)
定義日:2009-02-11
最終更新日:2011-12-06
識別子（ID）:4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
TF6
TF6
表記:4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
組成式:C19 H19 F3 N2 O3
SMILES:FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O)O)CC3
InChi:InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-5-17(23-12-15)27-16-3-1-2-14(11-16)10-13-6-8-24(9-7-13)18(25)26/h1-5,11-13H,6-10H2,(H,25,26)
定義日:2010-01-29
最終更新日:2011-12-06
識別子（ID）:4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
3MU
3MU
表記:3-methyluridine 5'-(dihydrogen phosphate)
組成式:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
InChi:InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
定義日:2011-01-18
最終更新日:2011-12-06
識別子（ID）:3-methyluridine 5'-(dihydrogen phosphate)
TAE
TAE
表記:N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE
組成式:C9 H14 N2 O8 P2
SMILES:CC1=CN(CC=CC[P](O)(=O)O[P](O)(O)=O)C(=O)NC1=O
InChi:InChI=1S/C9H14N2O8P2/c1-7-6-11(9(13)10-8(7)12)4-2-3-5-20(14,15)19-21(16,17)18/h2-3,6H,4-5H2,1H3,(H,14,15)(H,10,12,13)(H2,16,17,18)/b3-2+
定義日:2010-11-08
最終更新日:2011-12-02
識別子（ID）:[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl]-phosphonooxy-phosphinic acid
08E
08E
表記:1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
組成式:C20 H15 Cl N4 O3
SMILES:O=C4NC=CC=C4c2c1cc(Cl)ccc1n(c2C(=O)O)Cc3ccnc(N)c3
InChi:InChI=1S/C20H15ClN4O3/c21-12-3-4-15-14(9-12)17(13-2-1-6-24-19(13)26)18(20(27)28)25(15)10-11-5-7-23-16(22)8-11/h1-9H,10H2,(H2,22,23)(H,24,26)(H,27,28)
定義日:2011-10-13
最終更新日:2011-12-02
識別子（ID）:1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
08F
08F
表記:1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
組成式:C27 H23 Cl N6 O6 S2
SMILES:O=S(=O)(Nc1cc(ccc1)S(=O)(=O)NC(=O)c3c(c2cc(Cl)ccc2n3Cc4ccnc(N)c4)C5=CC=CNC5=O)C
InChi:InChI=1S/C27H23ClN6O6S2/c1-41(37,38)32-18-4-2-5-19(14-18)42(39,40)33-27(36)25-24(20-6-3-10-31-26(20)35)21-13-17(28)7-8-22(21)34(25)15-16-9-11-30-23(29)12-16/h2-14,32H,15H2,1H3,(H2,29,30)(H,31,35)(H,33,36)
定義日:2011-10-13
最終更新日:2011-12-02
識別子（ID）:1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
XPO
XPO
表記:formyl phosphate
組成式:C H3 O5 P
SMILES:O[P](O)(=O)OC=O
InChi:InChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)
定義日:2011-04-05
最終更新日:2011-12-02
識別子（ID）:phosphono methanoate
N68
N68
表記:6-aminohexyl dihydrogen phosphate
組成式:C6 H16 N O4 P
SMILES:O=P(OCCCCCCN)(O)O
InChi:InChI=1S/C6H16NO4P/c7-5-3-1-2-4-6-11-12(8,9)10/h1-7H2,(H2,8,9,10)
定義日:2011-05-31
最終更新日:2011-12-02
識別子（ID）:6-aminohexyl dihydrogen phosphate
RB9
RB9
表記:N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
組成式:C30 H28 N4 O2 S
SMILES:O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCCc5c4ccccc4nc5
InChi:InChI=1S/C30H28N4O2S/c35-27(19-31-16-15-23-18-32-26-14-8-7-13-24(23)26)34-30-28(25(20-37-30)22-11-5-2-6-12-22)29(36)33-17-21-9-3-1-4-10-21/h1-14,18,20,31-32H,15-17,19H2,(H,33,36)(H,34,35)
定義日:2010-12-16
最終更新日:2011-12-02
識別子（ID）:N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
3SE
3SE
表記:4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
組成式:C14 H15 F3 N4 O2 S
SMILES:FC(F)(F)CCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3
InChi:InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-10(22)21-6-2-9(3-7-21)12-19-11(20-23-12)13-18-5-8-24-13/h5,8-9H,1-4,6-7H2
定義日:2011-07-20
最終更新日:2011-12-02
識別子（ID）:4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
3SF
3SF
表記:5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
組成式:C15 H17 F3 N4 O2 S
SMILES:FC(F)(F)CCCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3
InChi:InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2
定義日:2011-06-16
最終更新日:2011-12-02
識別子（ID）:5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
RX6
RX6
表記:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
組成式:C26 H41 Cl N4 O5
SMILES:Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NC(CC2CCCOC2)CNC)C3
InChi:InChI=1S/C26H41ClN4O5/c1-28-16-23(14-19-6-5-12-35-18-19)30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
定義日:2011-02-14
最終更新日:2011-11-25
識別子（ID）:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
07U
07U
表記:2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
組成式:C17 H19 N5
SMILES:n2cc1cc(nc(c1cc2)NCC(N)(C)C)c3ccncc3
InChi:InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
定義日:2011-10-06
最終更新日:2011-11-25
識別子（ID）:2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
0TP
0TP
表記:4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
組成式:C19 H20 N4 O2 S
SMILES:O=C(c2c1sc(cc1c(nc2)N)c4ccc(N3CCOCC3)cc4)NC
InChi:InChI=1S/C19H20N4O2S/c1-21-19(24)15-11-22-18(20)14-10-16(26-17(14)15)12-2-4-13(5-3-12)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,20,22)(H,21,24)
定義日:2011-09-09
最終更新日:2011-11-25
識別子（ID）:4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon