Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
1KA
1KA
Name:(2-hydroxyethoxy)acetaldehyde
Formula:C4 H8 O3
SMILES:O=CCOCCO
InChi:InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2
Definition date:2012-12-25
Last modified:2013-02-15
Release date:2013-02-15
Identifier:(2-hydroxyethoxy)acetaldehyde
1BI
1BI
Name:3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide
Formula:C31 H33 N3 O6 S
SMILES:O=C(N1CCOCC1)Cn5c3cc(C(=O)NS(=O)(=O)c2ccccc2)ccc3c(c5c4ccoc4)C6CCCCC6
InChi:InChI=1S/C31H33N3O6S/c35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24/h2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36)
Definition date:2012-08-21
Last modified:2013-02-15
Release date:2013-02-15
Identifier:3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide
1H1
1H1
Name:ethyl (3R)-4-cyano-3-hydroxybutanoate
Formula:C7 H11 N O3
SMILES:O=C(OCC)CC(O)CC#N
InChi:InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1
Definition date:2013-02-01
Last modified:2013-02-15
Release date:2013-02-15
Identifier:ethyl (3R)-4-cyano-3-hydroxybutanoate
IXW
IXW
Name:ethyl (2S)-oxiran-2-ylacetate
Formula:C6 H10 O3
SMILES:O=C(OCC)CC1OC1
InChi:InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1
Definition date:2013-02-01
Last modified:2013-02-15
Release date:2013-02-15
Identifier:ethyl (2S)-oxiran-2-ylacetate
R1Z
R1Z
Name:Delta-[Ru(bpy)2dppz]2+
Formula:C38 H26 N8 Ru
SMILES:n1c3c9c8c4c(c3nc2c1cccc2)cccn4[Ru]7%12(n5ccccc5c6ccccn67)(n8ccc9)n%10ccccc%10c%11ccccn%11%12
InChi:InChI=1S/C18H10N4.2C10H8N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16
Definition date:2012-03-15
Last modified:2013-02-14
Identifier:bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)ruthenium
0HO
0HO
Name:2,1,3-benzothiadiazole-5-carboxylic acid
Formula:C7 H4 N2 O2 S
SMILES:O=C(O)c1ccc2nsnc2c1
InChi:InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
Definition date:2012-01-19
Last modified:2013-02-08
Release date:2013-02-08
Identifier:2,1,3-benzothiadiazole-5-carboxylic acid
0LU
0LU
Name:(2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol
Formula:C20 H23 N O S
SMILES:OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4
InChi:InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m0/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol
0LW
0LW
Name:(2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol
Formula:C20 H23 N O S
SMILES:OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4
InChi:InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m1/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol
0M2
0M2
Name:(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol
Formula:C19 H20 N2 O
SMILES:OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4
InChi:InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol
0M3
0M3
Name:(3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
Formula:C27 H31 N3 O3 S
SMILES:O=S(=O)(NC3CC(C(=O)NCC(c1ccccc1)c2ccccc2)CNC3)c4ccc(cc4)C
InChi:InChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
0ME
0ME
Name:(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
Formula:C20 H22 N2 O2
SMILES:O=C(NCC2c3c(Oc1c2cccc1)cccc3)C4CCCNC4
InChi:InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
0MJ
0MJ
Name:(3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
Formula:C27 H29 N3 O4 S
SMILES:O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3c4c(Oc2c3cccc2)cccc4)CNC5
InChi:InChI=1S/C27H29N3O4S/c1-18-10-12-21(13-11-18)35(32,33)30-20-14-19(15-28-16-20)27(31)29-17-24-22-6-2-4-8-25(22)34-26-9-5-3-7-23(24)26/h2-13,19-20,24,28,30H,14-17H2,1H3,(H,29,31)/t19-,20+/m0/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
0N0
0N0
Name:(3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
Formula:C32 H39 N3 O5 S
SMILES:O=S(=O)(c1ccc(cc1)C)NC5CC(C(=O)NCC3(c4c(Oc2c3cccc2)cccc4)CCCCOC)CNC5
InChi:InChI=1S/C32H39N3O5S/c1-23-13-15-26(16-14-23)41(37,38)35-25-19-24(20-33-21-25)31(36)34-22-32(17-7-8-18-39-2)27-9-3-5-11-29(27)40-30-12-6-4-10-28(30)32/h3-6,9-16,24-25,33,35H,7-8,17-22H2,1-2H3,(H,34,36)/t24-,25+/m0/s1
Definition date:2012-08-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
0WT
0WT
Name:(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
Formula:C17 H18 Cl N7 O
SMILES:Clc3c2c(nc(Oc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5
InChi:InChI=1S/C17H18ClN7O/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+
Definition date:2012-08-03
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
QAP
QAP
Name:2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Formula:C17 H16 O4
SMILES:O=C(OCCc1ccccc1)C=Cc2cc(O)c(O)cc2
InChi:InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
Definition date:2012-01-13
Last modified:2013-02-08
Release date:2013-02-08
Identifier:2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C69
C69
Name:(2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
Formula:C17 H16 Br N O3 S
SMILES:O=C2N(c1c(OC)cc(OC)cc1)C(SC2)c3cccc(Br)c3
InChi:InChI=1S/C17H16BrNO3S/c1-21-13-6-7-14(15(9-13)22-2)19-16(20)10-23-17(19)11-4-3-5-12(18)8-11/h3-9,17H,10H2,1-2H3/t17-/m0/s1
Definition date:2012-08-31
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(2S)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CJC
CJC
Name:7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one
Formula:C19 H19 Cl N8 O S
SMILES:O=C4Nc5cc(Sc1nc3c(c(n1)N2CCC(N)C2)c(Cl)c(n3)CC)cnc5N=C4
InChi:InChI=1S/C19H19ClN8OS/c1-2-11-15(20)14-17(25-11)26-19(27-18(14)28-4-3-9(21)8-28)30-10-5-12-16(22-6-10)23-7-13(29)24-12/h5-7,9H,2-4,8,21H2,1H3,(H,24,29)(H,25,26,27)/t9-/m1/s1
Definition date:2012-08-21
Last modified:2013-02-08
Release date:2013-02-08
Identifier:7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one
CKH
CKH
Name:2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
Formula:C18 H17 F N2 O
SMILES:Fc1ccccc1C(=O)NCCc3c2ccccc2nc3C
InChi:InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
Definition date:2012-08-31
Last modified:2013-02-08
Release date:2013-02-08
Identifier:2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
SUY
SUY
Name:(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
Formula:C17 H18 Cl N7 S
SMILES:Clc3c2c(nc(Sc1cncnc1)nc2nc3CC)N5CC4C(N)C4C5
InChi:InChI=1S/C17H18ClN7S/c1-2-11-13(18)12-15(22-11)23-17(26-8-3-20-7-21-4-8)24-16(12)25-5-9-10(6-25)14(9)19/h3-4,7,9-10,14H,2,5-6,19H2,1H3,(H,22,23,24)/t9-,10+,14+
Definition date:2012-08-21
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
4IK
4IK
Name:(2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid
Formula:C16 H25 N7 O5
SMILES:O=C(O)C(N)CCC(CN)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C16H25N7O5/c17-4-7(1-2-8(18)16(26)27)3-9-11(24)12(25)15(28-9)23-6-22-10-13(19)20-5-21-14(10)23/h5-9,11-12,15,24-25H,1-4,17-18H2,(H,26,27)(H2,19,20,21)/t7-,8-,9+,11+,12+,15+/m0/s1
Definition date:2013-01-07
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid (non-preferred name)
19X
19X
Name:6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one
Formula:C20 H19 Cl N6 O S
SMILES:O=C5N=Cc4c5cc(Sc1nc3c(c(n1)N2CCC(N)C2)c(Cl)c(n3)CC)cc4
InChi:InChI=1S/C20H19ClN6OS/c1-2-14-16(21)15-17(24-14)25-20(26-18(15)27-6-5-11(22)9-27)29-12-4-3-10-8-23-19(28)13(10)7-12/h3-4,7-8,11H,2,5-6,9,22H2,1H3,(H,24,25,26)/t11-/m1/s1
Definition date:2012-11-13
Last modified:2013-02-08
Release date:2013-02-08
Identifier:6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one
19Y
19Y
Name:6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
Formula:C15 H14 N4 O2 S
SMILES:O=Cc3c1c(nc(nc1OC)Sc2cccnc2)nc3CC
InChi:InChI=1S/C15H14N4O2S/c1-3-11-10(8-20)12-13(17-11)18-15(19-14(12)21-2)22-9-5-4-6-16-7-9/h4-8H,3H2,1-2H3,(H,17,18,19)
Definition date:2012-11-13
Last modified:2013-02-08
Release date:2013-02-08
Identifier:6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
1A0
1A0
Name:(3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
Formula:C19 H19 Cl N8 S
SMILES:Clc2c1c(nc(nc1nc2CC)Sc3cc4nccnc4nc3)N5CCC(N)C5
InChi:InChI=1S/C19H19ClN8S/c1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13/h4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27)/t10-/m1/s1
Definition date:2012-11-13
Last modified:2013-02-08
Release date:2013-02-08
Identifier:(3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
1A1
1A1
Name:N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
Formula:C17 H13 N7 O S
SMILES:O=C(Nc1nc(c2nc(sc2n1)c3cccnc3)n4ccnc4)C5CC5
InChi:InChI=1S/C17H13N7OS/c25-14(10-3-4-10)22-17-21-13(24-7-6-19-9-24)12-16(23-17)26-15(20-12)11-2-1-5-18-8-11/h1-2,5-10H,3-4H2,(H,21,22,23,25)
Definition date:2012-11-14
Last modified:2013-02-08
Release date:2013-02-08
Identifier:N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
1AV
1AV
Name:7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
Formula:C13 H9 N7 S
SMILES:n1c(c2nc(sc2nc1N)c3cccnc3)n4ccnc4
InChi:InChI=1S/C13H9N7S/c14-13-18-10(20-5-4-16-7-20)9-12(19-13)21-11(17-9)8-2-1-3-15-6-8/h1-7H,(H2,14,18,19)
Definition date:2012-11-16
Last modified:2013-02-08
Release date:2013-02-08
Identifier:7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine

224931

건을2024-09-11부터공개중

PDB statisticsPDBj update infoContact PDBjnumon