Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
0U4
0U4
Name:N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Formula:C42 H53 N5 O5 S
SMILES:O=S(=O)(N(c2cc(C(=O)NC(c1ccccc1)C)cc(c2)C(=O)NC(Cc3ccccc3)C(O)CNCCC5CCN(Cc4ccccc4)CC5)C)C
InChi:InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1
Definition date:2012-06-13
Last modified:2013-05-24
Release date:2013-05-29
Identifier:N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
0WF
0WF
Name:1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:C21 H25 N5 O2
SMILES:O=C1NC(=Nc2c1cnn2C3CCCC3)C(N5CC(Oc4ccccc4)C5)C
InChi:InChI=1S/C21H25N5O2/c1-14(25-12-17(13-25)28-16-9-3-2-4-10-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-5-6-8-15/h2-4,9-11,14-15,17H,5-8,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1
Definition date:2012-07-23
Last modified:2013-05-24
Release date:2013-05-29
Identifier:1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
0WL
0WL
Name:1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:C19 H23 N7 O
SMILES:O=C1NC(=Nc2c1cnn2C3CCCC3)C(N5CC(c4ncccn4)C5)C
InChi:InChI=1S/C19H23N7O/c1-12(25-10-13(11-25)17-20-7-4-8-21-17)16-23-18-15(19(27)24-16)9-22-26(18)14-5-2-3-6-14/h4,7-9,12-14H,2-3,5-6,10-11H2,1H3,(H,23,24,27)/t12-/m1/s1
Definition date:2012-07-25
Last modified:2013-05-24
Release date:2013-05-29
Identifier:1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
0X6
0X6
Name:2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Formula:C17 H12 Cl2 N4 O2
SMILES:O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cc(C#N)cc2Cl)C3CC3
InChi:InChI=1S/C17H12Cl2N4O2/c18-12-5-9(8-20)6-13(19)15(12)17(25)22-11-3-4-21-14(7-11)23-16(24)10-1-2-10/h3-7,10H,1-2H2,(H2,21,22,23,24,25)
Definition date:2012-08-28
Last modified:2013-05-24
Release date:2013-05-29
Identifier:2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
0XH
0XH
Name:2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Formula:C16 H12 Cl2 F N3 O2
SMILES:O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cccc2Cl)C3CC3F
InChi:InChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(18)14(10)16(24)21-8-4-5-20-13(6-8)22-15(23)9-7-12(9)19/h1-6,9,12H,7H2,(H2,20,21,22,23,24)/t9-,12+/m0/s1
Definition date:2012-08-28
Last modified:2013-05-24
Release date:2013-05-29
Identifier:2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
0XP
0XP
Name:2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Formula:C17 H11 Cl2 F N4 O2
SMILES:O=C(Nc1nccc(c1)NC(=O)c2c(Cl)cc(C#N)cc2Cl)C3CC3F
InChi:InChI=1S/C17H11Cl2FN4O2/c18-11-3-8(7-21)4-12(19)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-13(10)20/h1-5,10,13H,6H2,(H2,22,23,24,25,26)/t10-,13+/m0/s1
Definition date:2012-08-29
Last modified:2013-05-24
Release date:2013-05-29
Identifier:2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
1N4
1N4
Name:(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid
Formula:C8 H13 N3 O3
SMILES:O=C(O)C(c1c(cnn1O)CCC)N
InChi:InChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)/t6-/m1/s1
Definition date:2013-04-03
Last modified:2013-05-24
Release date:2013-05-29
Identifier:(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid
1P7
1P7
Name:6-chloro-2,3-dihydro-1H-isoindol-1-one
Formula:C8 H6 Cl N O
SMILES:Clc1cc2C(=O)NCc2cc1
InChi:InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
Definition date:2013-04-19
Last modified:2013-05-24
Release date:2013-05-29
Identifier:6-chloro-2,3-dihydro-1H-isoindol-1-one
1P8
1P8
Name:6-bromo-1,3-dihydro-2H-indol-2-one
Formula:C8 H6 Br N O
SMILES:Brc1ccc2c(c1)NC(=O)C2
InChi:InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
Definition date:2013-04-19
Last modified:2013-05-24
Release date:2013-05-29
Identifier:6-bromo-1,3-dihydro-2H-indol-2-one
1P9
1P9
Name:(3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
Formula:C22 H22 Br N3 O4
SMILES:O=C(O)CC(N2c1ccccc1N(C2=O)Cc4cc(Br)cc3NC(=O)Cc34)CCC
InChi:InChI=1S/C22H22BrN3O4/c1-2-5-15(10-21(28)29)26-19-7-4-3-6-18(19)25(22(26)30)12-13-8-14(23)9-17-16(13)11-20(27)24-17/h3-4,6-9,15H,2,5,10-12H2,1H3,(H,24,27)(H,28,29)/t15-/m0/s1
Definition date:2013-04-19
Last modified:2013-05-24
Release date:2013-05-29
Identifier:(3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
1J3
1J3
Name:4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide
Formula:C28 H37 F N8 O3
SMILES:O=C(NN1CCN(CC1)C)c5ccc(Nc4nc3N(C2CCCC2)CC(F)(/C=C)C(=O)N(c3cn4)C)c(OC)c5
InChi:InChI=1S/C28H37FN8O3/c1-5-28(29)18-37(20-8-6-7-9-20)24-22(35(3)26(28)39)17-30-27(32-24)31-21-11-10-19(16-23(21)40-4)25(38)33-36-14-12-34(2)13-15-36/h5,10-11,16-17,20H,1,6-9,12-15,18H2,2-4H3,(H,33,38)(H,30,31,32)/t28-/m1/s1
Definition date:2013-02-12
Last modified:2013-05-24
Release date:2013-05-29
Identifier:4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide
1J4
1J4
Name:4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Formula:C27 H34 F3 N7 O3
SMILES:FC5(F)C(=O)N(c1c(nc(nc1)Nc3c(OC)cc(C(=O)NC2CCN(C)CC2)c(F)c3)N(C4CCCC4)C5)C
InChi:InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)
Definition date:2013-02-12
Last modified:2013-05-24
Release date:2013-05-29
Identifier:4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
1R5
1R5
Name:7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
Formula:C15 H10 F N O2
SMILES:Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3
InChi:InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)
Definition date:2013-05-03
Last modified:2013-05-24
Release date:2013-05-29
Identifier:7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
1RN
1RN
Name:(E)-N-{[4-oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
Formula:C12 H16 N3 O10 P S
SMILES:O=C(O)C/N=C/C=1C(=O)NC(=S)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C12H16N3O10PS/c16-7(17)2-13-1-5-3-15(12(27)14-10(5)20)11-9(19)8(18)6(25-11)4-24-26(21,22)23/h1,3,6,8-9,11,18-19H,2,4H2,(H,16,17)(H,14,20,27)(H2,21,22,23)/b13-1+/t6-,8-,9+,11-/m1/s1
Definition date:2013-05-09
Last modified:2013-05-24
Release date:2013-05-29
Identifier:(E)-N-{[4-oxo-1-(5-O-phosphono-beta-D-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
1RS
1RS
Name:1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
Formula:C13 H15 N5
SMILES:n4c1nccc1c2c(ncn2C3CCNCC3)c4
InChi:InChI=1S/C13H15N5/c1-4-14-5-2-9(1)18-8-17-11-7-16-13-10(12(11)18)3-6-15-13/h3,6-9,14H,1-2,4-5H2,(H,15,16)
Definition date:2013-05-23
Last modified:2013-05-24
Release date:2013-05-29
Identifier:1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
1RT
1RT
Name:4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
Formula:C5 H5 N3 O3
SMILES:O=C1N=C(N)C(C(=O)O)=CN1
InChi:InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)
Definition date:2013-05-10
Last modified:2013-05-24
Release date:2013-05-29
Identifier:4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
1LJ
1LJ
Name:1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
Formula:C19 H18 N4 O3 S
SMILES:O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)NCc3cnc(N)cc3
InChi:InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)
Definition date:2013-03-19
Last modified:2013-05-24
Release date:2013-05-29
Identifier:1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
3LD
3LD
Name:3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one
Formula:C12 H12 N2 O2
SMILES:O=C1C=C(NN=C1O)CCc2ccccc2
InChi:InChI=1S/C12H12N2O2/c15-11-8-10(13-14-12(11)16)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,15)(H,14,16)
Definition date:2013-01-24
Last modified:2013-05-24
Release date:2013-05-29
Identifier:3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one
8LG
8LG
Name:pyridine-2,3-diol
Formula:C5 H5 N O2
SMILES:Oc1cccnc1O
InChi:InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
Definition date:2013-01-24
Last modified:2013-05-24
Release date:2013-05-29
Identifier:pyridine-2,3-diol
2LD
2LD
Name:3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one
Formula:C13 H13 N O2
SMILES:O=C1C(O)=CC(=CN1)CCc2ccccc2
InChi:InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
Definition date:2013-01-24
Last modified:2013-05-24
Release date:2013-05-29
Identifier:3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one
IXE
IXE
Name:N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
Formula:C14 H11 F3 N6
SMILES:Fc1cc(cc(F)c1F)N(c2cc3c(nc2)nc(nc3N)N)C
InChi:InChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22)
Definition date:2013-02-08
Last modified:2013-05-24
Release date:2013-05-29
Identifier:N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
IXF
IXF
Name:N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
Formula:C17 H20 N6
SMILES:n1cc(cc2c1nc(nc2N)N)N(c3ccc(cc3)C(C)C)C
InChi:InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)
Definition date:2013-02-08
Last modified:2013-05-24
Release date:2013-05-29
Identifier:N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
YI2
YI2
Name:(1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
Formula:C28 H44 O4 S
SMILES:OC3C(=CCO)C(O)C/C(=CC=C1/CCCC2(C(=CCC12)C(SCC(O)(CC)CC)C)C)C3
InChi:InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,24-,25+,26+,27+/m0/s1
Definition date:2012-06-21
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
YI3
YI3
Name:(1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
Formula:C30 H52 O3
SMILES:OC3CC(=C/C=C1C(CCCC)CCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3
InChi:InChI=1S/C30H52O3/c1-6-7-10-23-15-17-30(5)27(21(2)9-8-16-29(3,4)33)13-14-28(30)26(23)12-11-22-18-24(31)20-25(32)19-22/h11-12,21,23-25,27-28,31-33H,6-10,13-20H2,1-5H3/b26-12+/t21-,23-,24-,25-,27-,28+,30-/m1/s1
Definition date:2012-06-06
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
YI4
YI4
Name:(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol
Formula:C31 H50 O4
SMILES:OC3C(=CCO)C(O)CC(=CC=C1/C(C/C=C)CCC2(C)C(C(C)CCCC(O)(C)C)CCC12)C3
InChi:InChI=1S/C31H50O4/c1-6-8-23-14-17-31(5)26(21(2)9-7-16-30(3,4)35)12-13-27(31)24(23)11-10-22-19-28(33)25(15-18-32)29(34)20-22/h6,10-11,15,21,23,26-29,32-35H,1,7-9,12-14,16-20H2,2-5H3/b22-10-,24-11+,25-15+/t21-,23-,26-,27+,28-,29-,31-/m1/s1
Definition date:2012-06-06
Last modified:2013-05-17
Release date:2013-05-22
Identifier:(1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon