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
2QT
2QT
表記:N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
組成式:C20 H20 F N5 O
SMILES:O=C(Nc3cc(c2cc1c(ncnc1cc2)N)cc(F)c3)CN4CCCC4
InChi:InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
定義日:2014-01-09
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
2QU
2QU
表記:6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
組成式:C12 H8 F N5
SMILES:Fc3nccc(c2nc1c(ncnc1N)cc2)c3
InChi:InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)
定義日:2014-01-09
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
2QV
2QV
表記:6-(3-chlorophenyl)quinazolin-4-amine
組成式:C14 H10 Cl N3
SMILES:Clc3cccc(c2cc1c(ncnc1N)cc2)c3
InChi:InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
定義日:2014-01-09
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:6-(3-chlorophenyl)quinazolin-4-amine
2V8
2V8
表記:1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
組成式:C24 H18 Cl2 N2 O2
SMILES:Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4
InChi:InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)
定義日:2014-02-21
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
2X6
2X6
表記:7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one
組成式:C21 H23 N7 O
SMILES:O=C1c2c(N=CN1)cc(nc2Nc4cccc3ccnc34)NC5CCCCC5N
InChi:InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
定義日:2014-04-02
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one
2YF
2YF
表記:N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine
組成式:C12 H21 N3 O3
SMILES:O=C(NCCCCC(C(=O)O)N)C1N=CCCC1
InChi:InChI=1S/C12H21N3O3/c13-9(12(17)18)5-1-3-8-15-11(16)10-6-2-4-7-14-10/h7,9-10H,1-6,8,13H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1
定義日:2014-04-14
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine
2YG
2YG
表記:N~6~-L-lysyl-L-lysine
組成式:C12 H26 N4 O3
SMILES:O=C(O)C(N)CCCCNC(=O)C(N)CCCCN
InChi:InChI=1S/C12H26N4O3/c13-7-3-1-5-9(14)11(17)16-8-4-2-6-10(15)12(18)19/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1
定義日:2014-04-14
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:N~6~-L-lysyl-L-lysine
2YH
2YH
表記:N~5~-D-ornithyl-L-ornithine
組成式:C10 H22 N4 O3
SMILES:O=C(O)C(N)CCCNC(=O)C(N)CCCN
InChi:InChI=1S/C10H22N4O3/c11-5-1-3-7(12)9(15)14-6-2-4-8(13)10(16)17/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8+/m1/s1
定義日:2014-04-14
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:N~5~-D-ornithyl-L-ornithine
2YJ
2YJ
表記:N~5~-D-lysyl-L-ornithine
組成式:C11 H24 N4 O3
SMILES:O=C(O)C(N)CCCNC(=O)C(N)CCCCN
InChi:InChI=1S/C11H24N4O3/c12-6-2-1-4-8(13)10(16)15-7-3-5-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
定義日:2014-04-14
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:N~5~-D-lysyl-L-ornithine
6GJ
6GJ
表記:(3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
組成式:C11 H20 N2 O4 S
SMILES:N(=C1/SCC2N1C(O)C(O)C(O)C2O)CCCC
InChi:InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-6(5-18-11)7(14)8(15)9(16)10(13)17/h6-10,14-17H,2-5H2,1H3/b12-11+/t6-,7+,8+,9-,10+/m1/s1
定義日:2013-07-26
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:(3E,5S,6R,7S,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
CG9
CG9
表記:6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
組成式:C23 H21 N7 O
SMILES:n2cc1ccc(cc1n2)c4nc(c3nccn3c4)Nc6ccc(N5CCOCC5)cc6
InChi:InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
定義日:2014-03-19
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
6M1
6M1
表記:2-amino-6-methylbenzoic acid
組成式:C8 H9 N O2
SMILES:O=C(O)c1c(cccc1N)C
InChi:InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
定義日:2013-11-15
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:2-amino-6-methylbenzoic acid
FA0
FA0
表記:2-amino-4-fluorobenzoic acid
組成式:C7 H6 F N O2
SMILES:O=C(O)c1ccc(F)cc1N
InChi:InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
定義日:2013-11-15
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:2-amino-4-fluorobenzoic acid
2JA
2JA
表記:[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
組成式:C6 H14 O7 P2
SMILES:CC(CO)=CCC[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+
定義日:2013-10-28
最終更新日:2014-04-18
公開日:2014-04-23
識別子（ID）:[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
A36
A36
表記:N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
組成式:C13 H21 F N2 O2 S
SMILES:Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC
InChi:InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
定義日:2012-08-24
最終更新日:2014-04-16
公開日:2013-09-04
識別子（ID）:N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
EE2
EE2
表記:(2R)-2-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2S)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
組成式:C22 H20 O7
SMILES:O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)/C=C4c3ccccc3CC4O
InChi:InChI=1S/C22H20O7/c23-17-10-12-3-1-2-4-15(12)16(17)9-13-5-7-18-21(20(13)22(26)27)28-11-14(29-18)6-8-19(24)25/h1-5,7,9,14,17,23H,6,8,10-11H2,(H,24,25)(H,26,27)/b16-9+/t14-,17+/m1/s1
定義日:2013-11-14
最終更新日:2014-04-16
公開日:2013-11-27
識別子（ID）:(2R)-2-(2-carboxyethyl)-6-{(E)-[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
JNS
JNS
表記:5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid
組成式:C16 H12 O4
SMILES:O=C(O)c1c(ccc2OCOc12)/C=Cc3ccccc3
InChi:InChI=1S/C16H12O4/c17-16(18)14-12(7-6-11-4-2-1-3-5-11)8-9-13-15(14)20-10-19-13/h1-9H,10H2,(H,17,18)/b7-6-
定義日:2013-12-23
最終更新日:2014-04-15
公開日:2014-01-22
識別子（ID）:5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid
RVN
RVN
表記:5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
組成式:C17 H11 N O5
SMILES:O=C2Nc1ccccc1/C2=Cc3ccc4OCOc4c3C(=O)O
InChi:InChI=1S/C17H11NO5/c19-16-11(10-3-1-2-4-12(10)18-16)7-9-5-6-13-15(23-8-22-13)14(9)17(20)21/h1-7H,8H2,(H,18,19)(H,20,21)/b11-7+
定義日:2013-12-20
最終更新日:2014-04-15
公開日:2014-01-08
識別子（ID）:5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
HLR
HLR
表記:1,2-benzoxazol-3-amine
組成式:C7 H6 N2 O
SMILES:n2oc1ccccc1c2N
InChi:InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
定義日:2013-12-23
最終更新日:2014-04-15
公開日:2014-01-08
識別子（ID）:1,2-benzoxazol-3-amine
I2H
I2H
表記:5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
組成式:C19 H22 N4 O3
SMILES:n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c2OC(C=Cc23)C4CC4
InChi:InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1
定義日:2009-01-21
最終更新日:2014-04-15
識別子（ID）:5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
S0A
S0A
表記:1-[(1R)-1-cyclopropylethyl]-3-phenylurea
組成式:C12 H16 N2 O
SMILES:O=C(Nc1ccccc1)NC(C)C2CC2
InChi:InChI=1S/C12H16N2O/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)/t9-/m1/s1
定義日:2013-11-05
最終更新日:2014-04-11
公開日:2014-04-16
識別子（ID）:1-[(1R)-1-cyclopropylethyl]-3-phenylurea
S0B
S0B
表記:(5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
組成式:C12 H16 N2 S
SMILES:N1=C(SC(C)C1)NCCc2ccccc2
InChi:InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1
定義日:2013-11-06
最終更新日:2014-04-11
公開日:2014-04-16
識別子（ID）:(5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
S0C
S0C
表記:2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
組成式:C10 H14 N2 O S
SMILES:O=C(Nc1nccs1)CC2CCCC2
InChi:InChI=1S/C10H14N2OS/c13-9(7-8-3-1-2-4-8)12-10-11-5-6-14-10/h5-6,8H,1-4,7H2,(H,11,12,13)
定義日:2013-11-06
最終更新日:2014-04-11
公開日:2014-04-16
識別子（ID）:2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
S0D
S0D
表記:2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
組成式:C11 H10 N4
SMILES:n3cc(c1nc2c(n1)cccc2)cn3C
InChi:InChI=1S/C11H10N4/c1-15-7-8(6-12-15)11-13-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,13,14)
定義日:2013-11-06
最終更新日:2014-04-11
公開日:2014-04-16
識別子（ID）:2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
S0E
S0E
表記:6-(trifluoromethyl)-1,3-benzothiazol-2-amine
組成式:C8 H5 F3 N2 S
SMILES:FC(F)(F)c1ccc2nc(sc2c1)N
InChi:InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
定義日:2013-11-06
最終更新日:2014-04-11
公開日:2014-04-16
識別子（ID）:6-(trifluoromethyl)-1,3-benzothiazol-2-amine

225946

件を2024-10-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon