Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 5282 results BIRD

2D6

2D6
Name:	N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Formula:	C24 H24 N4 O3 S
SMILES:	N#Cc4ccc(OC3CCC(NC(=O)CCSC2=Nc1c(cccc1)C(=O)N2)CC3)cc4
InChi:	InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-
Definition date:	2013-09-23
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide

1JY

1JY
Name:	N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid
Formula:	C32 H33 N5 O10
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)C4c3c(cc2c(C(=O)N=C(N2)CO)c3)CC4)CCC(=O)O
InChi:	InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
Definition date:	2013-02-22
Last modified:	2013-12-20
Release date:	2013-12-25
Identifier:	N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid

Y1Z

Y1Z
Name:	2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
Formula:	C26 H23 Cl N6 O3 S
SMILES:	Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3ccccc34)ccc5N6CCOCC6
InChi:	InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-20-7-3-2-6-19(20)25(30-33(17)26)18-10-11-23(32-12-14-36-15-13-32)22(16-18)31-37(34,35)24-9-5-4-8-21(24)27/h2-11,16,31H,12-15H2,1H3
Definition date:	2013-11-26
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide

12O

12O
Name:	(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid
Formula:	C26 H26 N2 O5
SMILES:	O=C(O)C5CCCCC5C(=O)N2C(c1c(cccc1)CC2)CN4C(=O)c3ccccc3C4=O
InChi:	InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21-,22-/m1/s1
Definition date:	2013-01-03
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

2LL

2LL
Name:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole
Formula:	C26 H30 N4 O2
SMILES:	O1CCN(CC1)CCn2c5c(nc2CCc3ccccc3)cc(c4c(onc4C)C)cc5
InChi:	InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3
Definition date:	2013-11-27
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole

2LO

2LO
Name:	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole
Formula:	C28 H33 Cl N4 O3
SMILES:	Clc1c(OC)ccc(c1)CCc4nc3cc(c2c(onc2C)C)ccc3n4CC(N5CCOCC5)C
InChi:	InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
Definition date:	2013-11-27
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole

2N9

2N9
Name:	ethyl 4-aminoquinoline-3-carboxylate
Formula:	C12 H12 N2 O2
SMILES:	O=C(OCC)c1c(c2ccccc2nc1)N
InChi:	InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14)
Definition date:	2013-12-10
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	ethyl 4-aminoquinoline-3-carboxylate

2NB

2NB
Name:	3-nitroquinolin-4-amine
Formula:	C9 H7 N3 O2
SMILES:	[O-][N+](=O)c1c(c2ccccc2nc1)N
InChi:	InChI=1S/C9H7N3O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H,(H2,10,11)
Definition date:	2013-12-10
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	3-nitroquinolin-4-amine

2GQ

2GQ
Name:	3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one
Formula:	C13 H14 N2 O
SMILES:	O=C2c1ccccc1C=C(N2)N3CCCC3
InChi:	InChI=1S/C13H14N2O/c16-13-11-6-2-1-5-10(11)9-12(14-13)15-7-3-4-8-15/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)
Definition date:	2013-10-16
Last modified:	2013-12-13
Release date:	2013-12-18
Identifier:	3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one

P98

P98
Name:	2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
Formula:	C26 H23 N3 O
SMILES:	n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5
InChi:	InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3
Definition date:	2013-09-19
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline

2GU

2GU
Name:	5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
Formula:	C26 H22 F N5 O2
SMILES:	Fc3ccc(c2cc1cnc(nc1cc2)N)cc3C(=O)Nc4ccc5c(c4)NC(=O)CC5(C)C
InChi:	InChI=1S/C26H22FN5O2/c1-26(2)12-23(33)31-22-11-17(5-6-19(22)26)30-24(34)18-10-15(3-7-20(18)27)14-4-8-21-16(9-14)13-29-25(28)32-21/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,33)(H2,28,29,32)
Definition date:	2013-10-17
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide

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

1O6

1O6
Name:	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid
Formula:	C24 H29 N O4
SMILES:	O=C(N(c2ccc(Oc1ccccc1)cc2C(=O)O)C(C)C)C3CCC(C)CC3
InChi:	InChI=1S/C24H29NO4/c1-16(2)25(23(26)18-11-9-17(3)10-12-18)22-14-13-20(15-21(22)24(27)28)29-19-7-5-4-6-8-19/h4-8,13-18H,9-12H2,1-3H3,(H,27,28)/t17-,18-
Definition date:	2013-04-08
Last modified:	2013-11-22
Release date:	2013-11-27
Identifier:	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid

2KD

2KD
Name:	6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
Formula:	C27 H21 Cl N2 O6
SMILES:	O=C(OC)C(NC(=O)c1nc2ccc(cc2c(c1)C(=O)O)c3cccc(Cl)c3)Cc4ccc(O)cc4
InChi:	InChI=1S/C27H21ClN2O6/c1-36-27(35)24(11-15-5-8-19(31)9-6-15)30-25(32)23-14-21(26(33)34)20-13-17(7-10-22(20)29-23)16-3-2-4-18(28)12-16/h2-10,12-14,24,31H,11H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1
Definition date:	2013-11-18
Last modified:	2013-11-22
Release date:	2013-11-27
Identifier:	6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid

1K0

1K0
Name:	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Formula:	C20 H22 N2 O5
SMILES:	O=C2c3c(N=C(c1cc(c(OCCO)c(c1)C)C)N2)cc(OC)cc3OC
InChi:	InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
Definition date:	2013-02-25
Last modified:	2013-11-22
Release date:	2013-11-27
Identifier:	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one

Q1A

Q1A
Name:	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
Formula:	C23 H23 N5 O2
SMILES:	O=C(Nc1noc(c1)C(C)(C)C)Nc4ccc(c3c2ccnc(N)c2ccc3)cc4
InChi:	InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
Definition date:	2013-11-08
Last modified:	2013-11-15
Release date:	2013-11-20
Identifier:	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

1YY

1YY
Name:	(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
Formula:	C23 H30 F3 N3 O4 S2
SMILES:	O=S(=O)(N2CC(N(c1ccc(cc1)C(O)(C)C(F)(F)F)CC2)CN3C(C)COCC3)c4sccc4
InChi:	InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1
Definition date:	2013-08-09
Last modified:	2013-11-15
Release date:	2013-11-20
Identifier:	(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol

16J

16J
Name:	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
Formula:	C15 H20 Cl N3 O2
SMILES:	O=C(N2CCN(c1ccc(Cl)cc1)CC2)N3CCOCC3
InChi:	InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2
Definition date:	2012-10-19
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone

MHD

MHD
Name:	1-methyl-1H-indol-3-ol
Formula:	C9 H9 N O
SMILES:	Oc2c1ccccc1n(c2)C
InChi:	InChI=1S/C9H9NO/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-6,11H,1H3
Definition date:	2013-09-04
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	1-methyl-1H-indol-3-ol

RGK

RGK
Name:	2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
Formula:	C14 H11 N3 O
SMILES:	O=C2c3ccccc3N=C(c1ccc(N)cc1)N2
InChi:	InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
Definition date:	2013-06-20
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-aminophenyl)quinazolin-4(3H)-one

F46

F46
Name:	N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide
Formula:	C33 H30 F N3 O5
SMILES:	Fc2ccc(cc2NC(=O)c1ccccc1)Nc5ccc6C(=O)c4cc(OCCN3CCOCC3)ccc4COc6c5
InChi:	InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39)
Definition date:	2011-12-15
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide

25F

25F
Name:	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
Formula:	C14 H9 Br N2 O
SMILES:	Brc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:	InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
Definition date:	2013-06-20
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-bromophenyl)quinazolin-4(3H)-one

29F

29F
Name:	2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
Formula:	C18 H18 N2 O
SMILES:	O=C2c3ccccc3N=C(c1ccc(cc1)C(C)(C)C)N2
InChi:	InChI=1S/C18H18N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11H,1-3H3,(H,19,20,21)
Definition date:	2013-06-20
Last modified:	2013-10-25
Release date:	2013-10-30
Identifier:	2-(4-tert-butylphenyl)quinazolin-4(3H)-one

Q4I

Q4I
Name:	8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid
Formula:	C68 H64 N12 O16 S
SMILES:	O=S(=O)(N)c1ccc(cc1)C(=O)NCc%10cc(OCCCCNC(=O)Nc3cccc2c(OCC(C)C)cc(nc23)C(=O)Nc5cccc4c(O)cc(nc45)C(=O)Nc7cccc6c(OCCCN)cc(nc67)C(=O)Nc8cccc9c(OCC(=O)O)cc(nc89)C(=O)O)ccc%10
InChi:	InChI=1S/C68H64N12O16S/c1-37(2)35-95-56-32-52(75-62-44(56)16-9-20-49(62)80-68(90)71-26-3-4-27-93-40-12-5-11-38(29-40)34-72-63(84)39-21-23-41(24-22-39)97(70,91)92)66(87)77-46-17-6-13-42-54(81)30-50(73-59(42)46)64(85)78-47-18-7-14-43-55(94-28-10-25-69)31-51(74-60(43)47)65(86)79-48-19-8-15-45-57(96-36-58(82)83)33-53(67(88)89)76-61(45)48/h5-9,11-24,29-33,37H,3-4,10,25-28,34-36,69H2,1-2H3,(H,72,84)(H,73,81)(H,77,87)(H,78,85)(H,79,86)(H,82,83)(H,88,89)(H2,70,91,92)(H2,71,80,90)
Definition date:	2013-10-11
Last modified:	2013-10-18
Release date:	2013-10-23
Identifier:	8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid

2F5

2F5
Name:	1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
Formula:	C22 H19 N5 O3
SMILES:	O=C(c2nc1ccccc1n2)c5ccc(Oc4nccnc4N3CCOCC3)cc5
InChi:	InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26)
Definition date:	2013-10-07
Last modified:	2013-10-18
Release date:	2013-10-23
Identifier:	1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone

<163 164 165 166 167 168 169170171 172 173 174 175 176 177 178 >

226262

건을2024-10-16부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon