Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 5215 results BIRD

UGI

UGI
Name:	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C18 H21 F3 N6 O
SMILES:	Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F
InChi:	InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-5-7-28-8-6-26)25-17(24-14)27-3-1-2-4-27/h9-11H,1-8H2,(H2,22,23)
Definition date:	2016-10-31
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

4W0

4W0
Name:	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one
Formula:	C24 H17 F4 N O2
SMILES:	c1cc2c(c(c1)F)C(C(=C(N2)c3ccc(cc3)Cc4ccc(OC(F)(F)F)cc4)C)=O
InChi:	InChI=1S/C24H17F4NO2/c1-14-22(29-20-4-2-3-19(25)21(20)23(14)30)17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)31-24(26,27)28/h2-12H,13H2,1H3,(H,29,30)
Definition date:	2015-06-09
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one

5JJ

5JJ
Name:	N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine
Formula:	C20 H17 Cl2 N3
SMILES:	c1cc(N)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)CC#CCC
InChi:	InChI=1S/C20H17Cl2N3/c1-2-3-4-12-25(20-16(21)6-5-7-17(20)22)14-8-9-19-15(13-14)18(23)10-11-24-19/h5-11,13H,2,12H2,1H3,(H2,23,24)
Definition date:	2015-10-02
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine

6K5

6K5
Name:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Formula:	C18 H21 Cl F3 N7 O2
SMILES:	FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F
InChi:	InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24)
Definition date:	2016-04-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol

6K7

6K7
Name:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Formula:	C19 H22 Cl F3 N6 O2
SMILES:	c2(N1CCOCC1)cc(nc(n2)N3CC(C3)(CO)CCl)c4c(C(F)(F)F)cc(nc4)N
InChi:	InChI=1S/C19H22ClF3N6O2/c20-8-18(11-30)9-29(10-18)17-26-14(6-16(27-17)28-1-3-31-4-2-28)12-7-25-15(24)5-13(12)19(21,22)23/h5-7,30H,1-4,8-11H2,(H2,24,25)
Definition date:	2016-04-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol

72V

72V
Name:	1-methylindole-2,3-dione
Formula:	C9 H7 N O2
SMILES:	CN1C(=O)C(=O)c2ccccc12
InChi:	InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
Definition date:	2016-08-18
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-methylindole-2,3-dione

82D

82D
Name:	(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Formula:	C22 H25 Br F N3
SMILES:	c12c(cccc1)n(cc2C4CN(Cc3c(Br)cccc3F)CC4N(C)C)C
InChi:	InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1
Definition date:	2016-12-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

82G

82G
Name:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Formula:	C24 H28 F N3
SMILES:	c1c2c(ccc1)n(cc2C5CN(C4CCc3cccc(c34)F)CC5N(C)C)C
InChi:	InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
Definition date:	2016-12-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

8RM

8RM
Name:	N-methylquinoline-3-carboxamide
Formula:	C11 H10 N2 O
SMILES:	N(C(=O)c2cc1ccccc1nc2)C
InChi:	InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylquinoline-3-carboxamide

8RP

8RP
Name:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Formula:	C13 H17 N O3
SMILES:	N2(C(C)=O)CCc1cc(c(cc1C2)OC)OC
InChi:	InChI=1S/C13H17NO3/c1-9(15)14-5-4-10-6-12(16-2)13(17-3)7-11(10)8-14/h6-7H,4-5,8H2,1-3H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one

8SY

8SY
Name:	6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one
Formula:	C10 H12 N2 O
SMILES:	N1(C(CCc2cc(ccc12)N)=O)C
InChi:	InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one

8T1

8T1
Name:	6-amino-1-methylquinolin-2(1H)-one
Formula:	C10 H10 N2 O
SMILES:	N1(C)C(=O)C=Cc2c1ccc(c2)N
InChi:	InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-amino-1-methylquinolin-2(1H)-one

8TG

8TG
Name:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one
Formula:	C10 H7 Br N2 O3
SMILES:	N1(C)C(=O)C=Cc2c1cc(c(c2)[N+]([O-])=O)Br
InChi:	InChI=1S/C10H7BrN2O3/c1-12-8-5-7(11)9(13(15)16)4-6(8)2-3-10(12)14/h2-5H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one

6BX

6BX
Name:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	O=S(O)(CC(CN1CCOCC1)O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

6BY

6BY
Name:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	OS(CC(O)CN1CCOCC1)(=O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

YMZ

YMZ
Name:	Mefloquine
Formula:	C17 H16 F6 N2 O
SMILES:	O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1
Definition date:	2017-01-30
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	(~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol

7DN

7DN
Name:	2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid
Formula:	C30 H35 N3 O3
SMILES:	OC(=O)c5c(CCC4C(NC(C3CCN(c1ccc2c(n1)c(ccc2)C)CC3)=O)CCC4)cccc5
InChi:	InChI=1S/C30H35N3O3/c1-20-6-4-9-23-14-15-27(32-28(20)23)33-18-16-24(17-19-33)29(34)31-26-11-5-8-22(26)13-12-21-7-2-3-10-25(21)30(35)36/h2-4,6-7,9-10,14-15,22,24,26H,5,8,11-13,16-19H2,1H3,(H,31,34)(H,35,36)/t22-,26-/m0/s1
Definition date:	2016-10-11
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	2-{2-[(1S,2S)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid

QUJ

QUJ
Name:	8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid
Formula:	C14 H16 N2 O3
SMILES:	CC(C)COc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18)
Definition date:	2016-05-24
Last modified:	2017-02-24
Release date:	2017-03-01
Identifier:	8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid

918

918
Name:	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C18 H21 F3 N6 O
SMILES:	Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F
InChi:	InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-1-2-4-26)25-17(24-14)27-5-7-28-8-6-27/h9-11H,1-8H2,(H2,22,23)
Definition date:	2016-10-31
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

67T

67T
Name:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
Formula:	C21 H17 Cl N8 O
SMILES:	C2(=O)c1c(cccc1Cl)N=C(N2c3ccccc3)C(C)Nc4c(C#N)c(nc(n4)N)N
InChi:	InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1
Definition date:	2016-02-15
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile

68R

68R
Name:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
Formula:	C25 H19 Cl N8 O
SMILES:	C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O
InChi:	InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one

6AV

6AV
Name:	5-chloro-2-(1H-imidazol-1-yl)aniline
Formula:	C9 H8 Cl N3
SMILES:	n2(c1ccc(Cl)cc1N)ccnc2
InChi:	InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-chloro-2-(1H-imidazol-1-yl)aniline

7FF

7FF
Name:	methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
Formula:	C11 H14 N2 O2
SMILES:	COC(=O)N1CCCc2cc(N)ccc12
InChi:	InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate

7FV

7FV
Name:	[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone
Formula:	C27 H24 N2 O3
SMILES:	C[CH]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C
InChi:	InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone

7FW

7FW
Name:	~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide
Formula:	C31 H26 N4 O4
SMILES:	CN(Cc1ccc2nccnc2c1)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(O)cc5O
InChi:	InChI=1S/C31H26N4O4/c1-34(19-22-7-14-27-28(17-22)33-16-15-32-27)30(38)23-8-10-24(11-9-23)35(20-21-5-3-2-4-6-21)31(39)26-13-12-25(36)18-29(26)37/h2-18,36-37H,19-20H2,1H3
Definition date:	2016-10-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide

<122 123 124 125 126 127 128129130 131 132 133 134 135 136 137 >

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon