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PDB Info pages Status search Chemie search: 32 results BIRD

YD6

YD6
Name:	(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one
Formula:	C23 H15 Br N2 O
SMILES:	Brc1ccc(cc1)/C=C1/C2=NC(=O)c3ccccc3N2Cc2ccccc12
InChi:	InChI=1S/C23H15BrN2O/c24-17-11-9-15(10-12-17)13-20-18-6-2-1-5-16(18)14-26-21-8-4-3-7-19(21)23(27)25-22(20)26/h1-13H,14H2
Definition date:	2023-06-13
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(7E,13S)-7-[(4-bromophenyl)methylidene]-7,12-dihydro-5H-isoquinolino[2,3-a]quinazolin-5-one

YUN

YUN
Name:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
Formula:	C17 H15 Br N4 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)CC
InChi:	InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
Definition date:	2013-08-02
Last modified:	2024-09-27
Release date:	2013-09-11
Identifier:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide

FRW

FRW
Name:	4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
Formula:	C24 H30 F3 N3 O6
SMILES:	O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2
InChi:	InChI=1S/C24H30F3N3O6/c1-12(2)17(19(31)24(25,26)27)28-21(33)16-6-5-11-30(16)22(34)18(13(3)4)29-20(32)14-7-9-15(10-8-14)23(35)36/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t16-,17-,18-/m0/s1
Definition date:	2009-05-26
Last modified:	2024-09-27
Identifier:	N-[(4-carboxyphenyl)carbonyl]-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamide

SLR

SLR
Name:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
Formula:	C10 H17 N O5
SMILES:	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
InChi:	InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
Definition date:	2008-07-29
Last modified:	2024-09-27
Identifier:	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

ZGY

ZGY
Name:	2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide
Formula:	C19 H15 Br F N7 O3 S
SMILES:	NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br
InChi:	InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28)
Definition date:	2021-04-27
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide

TFX

TFX
Name:	2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
Formula:	C17 H19 N2 S
SMILES:	s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C
InChi:	InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
Synonyms:	Thioflavin T
Definition date:	2010-05-12
Last modified:	2021-03-01
Identifier:	2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium

POY

POY
Name:	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Formula:	C15 H22 N4 O3
SMILES:	O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC
InChi:	InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3
Synonyms:	Propentofylline
Definition date:	2010-12-21
Last modified:	2020-06-17
Identifier:	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione

S60

S60
Name:	6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C10 H9 N5 O
SMILES:	O=C1c3c(N=C(N)N1)cc2nc(nc2c3)C
InChi:	InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)
Synonyms:	2-methyl-lin-Benzoguanine
Definition date:	2008-01-31
Last modified:	2020-06-17
Identifier:	6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

VGI

VGI
Name:	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
Formula:	C20 H15 Br N2 O3
SMILES:	Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO
InChi:	InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
Definition date:	2009-05-05
Last modified:	2019-01-15
Identifier:	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione

62B

62B
Name:	Lefamulin
Formula:	C28 H45 N O5 S
SMILES:	C1(C(C(CC(C3(C)C2C(CCC12CCC3C)=O)OC(CSC4CCC(CC4O)N)=O)(C)C=C)O)C
InChi:	InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1
Definition date:	2016-01-15
Last modified:	2016-12-16
Release date:	2016-12-21
Identifier:	(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(1R,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanyl}acetate

W9Z

W9Z
Name:	6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
Formula:	C20 H17 N7
SMILES:	n1nc4ccc(nn4c1C(c3cc2cccnc2cc3)C)c5cn(nc5)C
InChi:	InChI=1S/C20H17N7/c1-13(14-5-6-17-15(10-14)4-3-9-21-17)20-24-23-19-8-7-18(25-27(19)20)16-11-22-26(2)12-16/h3-13H,1-2H3/t13-/m0/s1
Definition date:	2012-11-16
Last modified:	2013-11-22
Release date:	2013-11-27
Identifier:	6-{(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline

M41

M41
Name:	N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide
Formula:	C25 H33 Cl N4 O4 S
SMILES:	O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C(C)C)CCC3
InChi:	InChI=1S/C25H33ClN4O4S/c1-17(2)23(29-35(33,34)16-18-7-4-3-5-8-18)25(32)30-12-6-9-22(30)24(31)28-15-20-13-21(26)11-10-19(20)14-27/h3-5,7-8,10-11,13,17,22-23,29H,6,9,12,14-16,27H2,1-2H3,(H,28,31)/t22-,23+/m0/s1
Definition date:	2011-04-25
Last modified:	2012-04-20
Identifier:	N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

0L9

0L9
Name:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
Formula:	C19 H15 Br Cl N O3
SMILES:	O=C(O)C(OC)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChi:	InChI=1S/C19H15BrClNO3/c1-10-16(18(25-2)19(23)24)17(11-3-6-13(21)7-4-11)14-9-12(20)5-8-15(14)22-10/h3-9,18H,1-2H3,(H,23,24)/t18-/m0/s1
Definition date:	2012-02-10
Last modified:	2012-03-16
Identifier:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid

YTR

YTR
Name:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(c(OC)c(OC)cc1)N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

RZW

RZW
Name:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C14 H17 N O4
SMILES:	O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C
InChi:	InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

A2Z

A2Z
Name:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one
Formula:	C12 H11 N O3
SMILES:	O=C1C=C(c3c(N1C)c2OCOc2cc3)C
InChi:	InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

VVV

VVV
Name:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one
Formula:	C13 H15 N O4
SMILES:	O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2)C
InChi:	InChI=1S/C13H15NO4/c1-7-5-10(15)14-12-8(16-2)6-9(17-3)13(18-4)11(7)12/h5-6H,1-4H3,(H,14,15)
Definition date:	2010-06-29
Last modified:	2012-01-06
Identifier:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one

EWQ

EWQ
Name:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(c(OC)cc(OC)c1)N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-5-12(15)14(2)13-10(8)6-9(16-3)7-11(13)17-4/h5-7H,1-4H3
Definition date:	2010-06-11
Last modified:	2012-01-06
Identifier:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

0TP

0TP
Name:	4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
Formula:	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)
Definition date:	2011-09-09
Last modified:	2011-11-25
Identifier:	4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

MZX

MZX
Name:	5,8-dimethoxy-4-methylquinolin-2(1H)-one
Formula:	C12 H13 N O3
SMILES:	O=C2C=C(c1c(OC)ccc(OC)c1N2)C
InChi:	InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)
Definition date:	2010-07-01
Last modified:	2011-07-29
Identifier:	5,8-dimethoxy-4-methylquinolin-2(1H)-one

POF

POF
Name:	(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
Formula:	C24 H27 N3 O5 S
SMILES:	O=S(=O)(Oc1cc3c(cc1)C2CCC4(C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N
InChi:	InChI=1S/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/m1/s1
Definition date:	2008-02-12
Last modified:	2011-06-04
Identifier:	(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate

MXX

MXX
Name:	5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
Formula:	C13 H15 N O3
SMILES:	O=C2C=C(c1c(OC)ccc(OC)c1N2C)C
InChi:	InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
Definition date:	2009-02-18
Last modified:	2011-06-04
Identifier:	5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

30B

30B
Name:	(2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
Formula:	C38 H47 N5 O7 S2
SMILES:	COc1ccc2c(O[CH]3C[CH]4[CH](C3)C(=O)N(C)CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6CC6)cc(nc2c1C)c7scc(n7)C(C)C
InChi:	InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
Definition date:	2009-11-06
Last modified:	2011-06-04

SM9

SM9
Name:	N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
Formula:	C31 H43 N5 O4 S
SMILES:	O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5
InChi:	InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1
Definition date:	2011-02-09
Last modified:	2011-06-04
Identifier:	N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide

IW6

IW6
Name:	2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
Formula:	C16 H15 Br2 N O2
SMILES:	Brc1cc(cc(Br)c1N)C=Cc2c(OC)cccc2OC
InChi:	InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+
Definition date:	2009-08-12
Last modified:	2011-06-04
Identifier:	2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline

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