Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
2GN
2GN
Name:N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
Formula:C27 H24 Cl2 N8 O4 S2
SMILES:O=S(=O)(N1CCOCC1)c2cc(c(Cl)cc2Cl)C(=O)Nc3sc4c(c3C#N)CCN(C4)Cc6ccc(c5nnnn5)cc6
InChi:InChI=1S/C27H24Cl2N8O4S2/c28-21-12-22(29)24(43(39,40)37-7-9-41-10-8-37)11-19(21)26(38)31-27-20(13-30)18-5-6-36(15-23(18)42-27)14-16-1-3-17(4-2-16)25-32-34-35-33-25/h1-4,11-12H,5-10,14-15H2,(H,31,38)(H,32,33,34,35)
Definition date:2013-02-05
Last modified:2014-09-05
Release date:2013-07-03
Identifier:2,4-dichloro-N-{3-cyano-6-[4-(2H-tetrazol-5-yl)benzyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-5-(morpholin-4-ylsulfonyl)benzamide
P08
P08
Name:PIK-108
Formula:C22 H24 N2 O3
SMILES:O=C1C=C(Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4
InChi:InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1
Definition date:2011-10-24
Last modified:2014-09-05
Identifier:6-methyl-2-(morpholin-4-yl)-8-[(1S)-1-(phenylamino)ethyl]-4H-chromen-4-one
083
083
Name:4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
Formula:C21 H18 N6
SMILES:n1c(cc(nc1C(=N/c4nc(c2ncccc2)cc3c4cccc3)/N)C)C
InChi:InChI=1S/C21H18N6/c1-13-11-14(2)25-21(24-13)19(22)27-20-16-8-4-3-7-15(16)12-18(26-20)17-9-5-6-10-23-17/h3-12H,1-2H3,(H2,22,26,27)
Definition date:2013-03-21
Last modified:2014-09-05
Release date:2013-05-22
Identifier:4,6-dimethyl-N'-[3-(pyridin-2-yl)isoquinolin-1-yl]pyrimidine-2-carboximidamide
08C
08C
Name:2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
Formula:C15 H12 N2 O2
SMILES:O=C2c3ccccc3N=C(c1ccc(OC)cc1)N2
InChi:InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:2-(4-methoxyphenyl)quinazolin-4(3H)-one
P9I
P9I
Name:1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE
Formula:C15 H13 N2 O
SMILES:OC(=C2C=C(c1ncccc1)c3cccc[n+]23)C
InChi:InChI=1S/C15H12N2O/c1-11(18)15-10-12(13-6-2-4-8-16-13)14-7-3-5-9-17(14)15/h2-10H,1H3/p+1
Definition date:2011-11-26
Last modified:2014-09-05
Identifier:(3Z)-3-(1-hydroxyethylidene)-1-(pyridin-2-yl)-3H-indolizinium
P9L
P9L
Name:1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
Formula:C14 H19 N3 O4 S
SMILES:O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3
InChi:InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
Definition date:2011-11-26
Last modified:2014-09-05
Identifier:1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
25Q
25Q
Name:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C18 H15 N5 O2
SMILES:O=C(c2c1nc4ccccc4nc1n(c2N)c3cccc(OC)c3)N
InChi:InChI=1S/C18H15N5O2/c1-25-11-6-4-5-10(9-11)23-16(19)14(17(20)24)15-18(23)22-13-8-3-2-7-12(13)21-15/h2-9H,19H2,1H3,(H2,20,24)
Definition date:2014-03-14
Last modified:2014-09-05
Release date:2014-08-13
Identifier:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
27F
27F
Name:4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE
Formula:C15 H9 N3 O
SMILES:N#Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:InChI=1S/C15H9N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,(H,17,18,19)
Definition date:2013-06-20
Last modified:2014-09-05
Release date:2013-10-30
Identifier:4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile
27X
27X
Name:AMMOSAMIDE 272
Formula:C13 H12 N4 O3
SMILES:O=C(OC)c2nc1c(cc(N)c3c1c(c2)C(=O)N3C)N
InChi:InChI=1S/C13H12N4O3/c1-17-11-7(15)4-6(14)10-9(11)5(12(17)18)3-8(16-10)13(19)20-2/h3-4H,14-15H2,1-2H3
Definition date:2012-01-05
Last modified:2014-09-05
Release date:2013-01-11
Identifier:methyl 6,8-diamino-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxylate
2EW
2EW
Name:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
Formula:C18 H24 N4 O5 S
SMILES:O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3
InChi:InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1
Definition date:2013-10-01
Last modified:2014-09-05
Release date:2014-09-10
Identifier:(3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
JG7
JG7
Name:(2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
Formula:C26 H33 Cl F3 N5 O4 S
SMILES:FC(F)(F)C5(C(=O)N2C(C(=O)NC1(C=[N@H])CC1)CC(C2)S(=O)(=O)c4ccc(N3CCN(CC)CC3)cc4Cl)CC5
InChi:InChI=1S/C26H33ClF3N5O4S/c1-2-33-9-11-34(12-10-33)17-3-4-21(19(27)13-17)40(38,39)18-14-20(22(36)32-24(16-31)5-6-24)35(15-18)23(37)25(7-8-25)26(28,29)30/h3-4,13,16,18,20,31H,2,5-12,14-15H2,1H3,(H,32,36)/b31-16+/t18-,20+/m1/s1
Definition date:2013-06-07
Last modified:2014-09-05
Release date:2014-06-18
Identifier:(4R)-4-{[2-chloro-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
JIL
JIL
Name:9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine
Formula:C22 H28 N8 O5 S
SMILES:[O-][N+](=O)c1ccc2c(c1)CNC(C2)CNCCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O
InChi:InChI=1S/C22H28N8O5S/c23-20-17-21(27-10-26-20)29(11-28-17)22-19(32)18(31)16(35-22)9-36-4-3-24-8-14-5-12-1-2-15(30(33)34)6-13(12)7-25-14/h1-2,6,10-11,14,16,18-19,22,24-25,31-32H,3-5,7-9H2,(H2,23,26,27)/t14-,16-,18+,19+,22+/m0/s1
Definition date:2013-09-10
Last modified:2014-09-05
Release date:2014-09-10
Identifier:9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine
8HQ
8HQ
Name:8-hydroxyquinoline-4-carboxylic acid
Formula:C10 H7 N O3
SMILES:O=C(O)c1c2cccc(O)c2ncc1
InChi:InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
Definition date:2013-04-12
Last modified:2014-09-05
Release date:2014-02-05
Identifier:8-hydroxyquinoline-4-carboxylic acid
O19
O19
Name:(2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
Formula:C25 H28 N6 O2
SMILES:O=C(Nc1ccc(cc1)c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)C5NCCC5
InChi:InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
Definition date:2012-09-21
Last modified:2014-09-05
Release date:2012-11-16
Identifier:N-[4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]-D-prolinamide
8PW
8PW
Name:(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:C23 H25 F6 N3 O5 S
SMILES:O=S(=O)(c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C)CC3)C4
InChi:InChI=1S/C23H25F6N3O5S/c1-20(4-5-20)19(34)32-10-14(9-16(32)18(33)31-21(11-30)6-7-21)38(35,36)17-3-2-13(37-12-22(24,25)26)8-15(17)23(27,28)29/h2-3,8,11,14,16,30H,4-7,9-10,12H2,1H3,(H,31,33)/b30-11+/t14-,16+/m1/s1
Definition date:2013-06-03
Last modified:2014-09-05
Release date:2014-06-18
Identifier:(4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide
Q0B
Q0B
Name:2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C22 H22 Cl N5 O2
SMILES:Clc1ccccc1n3c(c(c2nc4ccccc4nc23)C(=O)NCCCOCC)N
InChi:InChI=1S/C22H22ClN5O2/c1-2-30-13-7-12-25-22(29)18-19-21(27-16-10-5-4-9-15(16)26-19)28(20(18)24)17-11-6-3-8-14(17)23/h3-6,8-11H,2,7,12-13,24H2,1H3,(H,25,29)
Definition date:2014-03-21
Last modified:2014-09-05
Release date:2014-08-13
Identifier:2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Q7M
Q7M
Name:2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C25 H18 F3 N7 O2
SMILES:FC(F)(F)c1cc(ccc1)NC(=O)Nc2ccc(cc2)n4c(c(c3nc5ccccc5nc34)C(=O)N)N
InChi:InChI=1S/C25H18F3N7O2/c26-25(27,28)13-4-3-5-15(12-13)32-24(37)31-14-8-10-16(11-9-14)35-21(29)19(22(30)36)20-23(35)34-18-7-2-1-6-17(18)33-20/h1-12H,29H2,(H2,30,36)(H2,31,32,37)
Definition date:2014-03-25
Last modified:2014-09-05
Release date:2014-08-13
Identifier:2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
QC0
QC0
Name:N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE
Formula:C25 H25 N5 O3
SMILES:O=C(Nc4ccc(c(N3C=Nc2ccc(N1CCN(C)CC1)cc2C3=O)c4)C)c5ccoc5
InChi:InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Definition date:2011-11-30
Last modified:2014-09-05
Identifier:N-{4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]phenyl}furan-3-carboxamide
QD0
QD0
Name:(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:C12 H17 N3 O4
SMILES:O=C(N1C(C(=O)NC)CC(O)C1)Cc2onc(c2)C
InChi:InChI=1S/C12H17N3O4/c1-7-3-9(19-14-7)5-11(17)15-6-8(16)4-10(15)12(18)13-2/h3,8,10,16H,4-6H2,1-2H3,(H,13,18)/t8-,10+/m1/s1
Definition date:2013-04-29
Last modified:2014-09-05
Release date:2013-11-27
Identifier:(4R)-4-hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide
QQV
QQV
Name:(1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide
Formula:C19 H25 N3 O5 S
SMILES:O=C(N1CCOCC1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@H]
InChi:InChI=1S/C19H25N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-6,15-17,20H,7-13H2,(H,21,23)/b20-6+/t15-,16-,17-/m1/s1
Definition date:2013-06-11
Last modified:2014-09-05
Release date:2013-11-27
Identifier:(1R,2R,4R)-N-[(2E)-2-iminoethyl]-2-(morpholin-4-ylcarbonyl)-4-(phenylsulfonyl)cyclopentanecarboxamide
D88
D88
Name:4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Formula:C26 H29 Cl2 N5 O3
SMILES:Clc1cc(cc(OC)c1Cl)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34
InChi:InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-23-14-21-19(13-22(23)34-2)26(17(15-29)16-30-21)31-18-11-20(27)25(28)24(12-18)35-3/h11-14,16H,4-10H2,1-3H3,(H,30,31)
Definition date:2011-12-13
Last modified:2014-09-05
Identifier:4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
IQ1
IQ1
Name:3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE
Formula:C21 H20 N4
SMILES:n4c(c1cnc2c(c1)cccc2)c(c3ccncc3)nc4C(C)(C)C
InChi:InChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25)
Definition date:2011-08-15
Last modified:2014-09-05
Identifier:3-[2-tert-butyl-5-(pyridin-4-yl)-1H-imidazol-4-yl]quinoline
RQQ
RQQ
Name:N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
Formula:C17 H15 N3 O2
SMILES:O=C(c1cc2nccnc2cc1)NCc3ccc(OC)cc3
InChi:InChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21)
Definition date:2012-10-05
Last modified:2014-09-05
Release date:2013-06-26
Identifier:N-(4-methoxybenzyl)quinoxaline-6-carboxamide
2DK
2DK
Name:{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid
Formula:C16 H19 N3 O7 S
SMILES:O=S(=O)(N1CCOCC1)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O
InChi:InChI=1S/C16H19N3O7S/c1-25-12-2-3-13-11(8-12)9-14(19(13)10-15(20)21)16(22)17-27(23,24)18-4-6-26-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H,17,22)(H,20,21)
Definition date:2013-09-25
Last modified:2014-08-22
Release date:2014-08-27
Identifier:{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1H-indol-1-yl}acetic acid
2EV
2EV
Name:(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
Formula:C18 H23 Cl N4 O5 S
SMILES:O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3
InChi:InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1
Definition date:2013-10-01
Last modified:2014-08-15
Release date:2014-08-20
Identifier:(3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon