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: 35338 results BIRD

ROU

ROU
Name:	5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C15 H10 F6 N2 O4
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C15H10F6N2O4/c16-14(17,18)7-3-6(4-8(5-7)15(19,20)21)1-2-9-10(12(25)26)22-13(27)23-11(9)24/h3-5H,1-2H2,(H,25,26)(H2,22,23,24,27)
Definition date:	2012-12-12
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

SHX

SHX
Name:	Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide
Formula:	C19 H18 Cl N5 O
SMILES:	O=C(N)C(Nc1nc(nc(c1Cl)C)c2ncccc2)Cc3ccccc3
InChi:	InChI=1S/C19H18ClN5O/c1-12-16(20)19(25-18(23-12)14-9-5-6-10-22-14)24-15(17(21)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,21,26)(H,23,24,25)/t15-/m1/s1
Definition date:	2013-01-10
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide

NBH

NBH
Name:	N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
Formula:	C27 H32 N2 O3 S
SMILES:	O=S(=O)(c1ccc(cc1)CC(=O)Nc2ccc(cc2)CN(Cc3ccccc3)CCC)CC
InChi:	InChI=1S/C27H32N2O3S/c1-3-18-29(20-23-8-6-5-7-9-23)21-24-10-14-25(15-11-24)28-27(30)19-22-12-16-26(17-13-22)33(31,32)4-2/h5-17H,3-4,18-21H2,1-2H3,(H,28,30)
Definition date:	2013-11-18
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide

0XC

0XC
Name:	(2E)-6-amino-2-iminohexanoic acid
Formula:	C6 H12 N2 O2
SMILES:	O=C(O)C(=[N@H])CCCCN
InChi:	InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+
Definition date:	2012-09-11
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(2E)-6-amino-2-iminohexanoic acid

0XD

0XD
Name:	(2E)-2-imino-4-(methylsulfanyl)butanoic acid
Formula:	C5 H9 N O2 S
SMILES:	O=C(O)C(=[N@H])CCSC
InChi:	InChI=1S/C5H9NO2S/c1-9-3-2-4(6)5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+
Definition date:	2012-09-11
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(2E)-2-imino-4-(methylsulfanyl)butanoic acid

1CW

1CW
Name:	3-amino-2-hydroxybenzoic acid
Formula:	C7 H7 N O3
SMILES:	O=C(O)c1cccc(N)c1O
InChi:	InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
Definition date:	2012-12-07
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	3-amino-2-hydroxybenzoic acid

1DZ

1DZ
Name:	1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
Formula:	C17 H14 N2 O2
SMILES:	O=C(O)c2nn(c1cccc(c1)C)c(c2)c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
Definition date:	2013-07-30
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid

1GO

1GO
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
Formula:	C8 H8 N4 O3 S3
SMILES:	O=S(=O)(c1nnc(s1)NC(=O)Cc2sccc2)N
InChi:	InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
Definition date:	2013-01-25
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide

1JC

1JC
Name:	1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide
Formula:	C29 H28 N6 O3 S
SMILES:	O=S(=O)(NCc1ncccc1)Cc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5
InChi:	InChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2
Definition date:	2013-02-14
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide

1XS

1XS
Name:	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
Formula:	C11 H6 Cl F O3
SMILES:	Fc1ccc(cc1Cl)c2oc(C(=O)O)cc2
InChi:	InChI=1S/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
Definition date:	2013-07-30
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid

1XT

1XT
Name:	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid
Formula:	C29 H22 N2 O6
SMILES:	O=C(O)c2nn(c1cc(ccc1)C)c(c2)c5ccc(OCc3ccc(cc3)c4oc(C(=O)O)cc4)cc5
InChi:	InChI=1S/C29H22N2O6/c1-18-3-2-4-22(15-18)31-25(16-24(30-31)28(32)33)20-9-11-23(12-10-20)36-17-19-5-7-21(8-6-19)26-13-14-27(37-26)29(34)35/h2-16H,17H2,1H3,(H,32,33)(H,34,35)
Definition date:	2013-07-30
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid

1XU

1XU
Name:	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
Formula:	C28 H18 Cl3 N3 O3 S
SMILES:	Clc1ccc(cc1Cl)n2nccc2c3ccc(cc3)CNC(=S)c4ccc(cc4Cl)c5oc(C(=O)O)cc5
InChi:	InChI=1S/C28H18Cl3N3O3S/c29-21-8-6-19(14-23(21)31)34-24(11-12-33-34)17-3-1-16(2-4-17)15-32-27(38)20-7-5-18(13-22(20)30)25-9-10-26(37-25)28(35)36/h1-14H,15H2,(H,32,38)(H,35,36)
Definition date:	2013-07-30
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid

62N

62N
Name:	N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:	C15 H17 F3 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C15H17F3N2O7/c16-15(17,18)7-3-1-6(2-4-7)12(25)19-14(26)20-13-11(24)10(23)9(22)8(5-21)27-13/h1-4,8-11,13,21-24H,5H2,(H2,19,20,25,26)/t8-,9-,10+,11-,13-/m1/s1
Definition date:	2012-11-22
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-D-glucopyranosylamine

38I

38I
Name:	{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
Formula:	C20 H30 B Cl2 N2 O5
SMILES:	O=C(O)C(N)(C2CC3N(Cc1ccc(Cl)c(Cl)c1)C(C2)CC3)CCCC[B-](O)(O)O
InChi:	InChI=1S/C20H30BCl2N2O5/c22-17-6-3-13(9-18(17)23)12-25-15-4-5-16(25)11-14(10-15)20(24,19(26)27)7-1-2-8-21(28,29)30/h3,6,9,14-16,28-30H,1-2,4-5,7-8,10-12,24H2,(H,26,27)/q-1/t14-,15+,16-,20-/m1/s1
Definition date:	2013-02-12
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	{(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)

3EF

3EF
Name:	N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine
Formula:	C38 H38 N3 O9 P
SMILES:	O=C(O)C(NC(=O)C(CP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)Cc4onc(c3ccccc3)c4)Cc5ccc(O)cc5
InChi:	InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34+,35-/m1/s1
Definition date:	2013-10-08
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine

2C3

2C3
Name:	N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Formula:	C25 H22 Cl2 N6 O4
SMILES:	Clc1cccc(c1)C(NC(=O)c2cc(c(Cl)cc2)NC(=O)C4=Cc3c(nc(nc3)OC)NC4=O)CCN
InChi:	InChI=1S/C25H22Cl2N6O4/c1-37-25-29-12-15-10-17(24(36)32-21(15)33-25)23(35)31-20-11-14(5-6-18(20)27)22(34)30-19(7-8-28)13-3-2-4-16(26)9-13/h2-6,9-12,19H,7-8,28H2,1H3,(H,30,34)(H,31,35)(H,29,32,33,36)/t19-/m1/s1
Definition date:	2013-09-19
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

2C4

2C4
Name:	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate
Formula:	C17 H13 Cl N4 O5
SMILES:	O=C(OC)c1cc(c(Cl)cc1)NC(=O)C3=Cc2c(nc(nc2)OC)NC3=O
InChi:	InChI=1S/C17H13ClN4O5/c1-26-16(25)8-3-4-11(18)12(6-8)20-14(23)10-5-9-7-19-17(27-2)22-13(9)21-15(10)24/h3-7H,1-2H3,(H,20,23)(H,19,21,22,24)
Definition date:	2013-09-19
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate

F85

F85
Name:	N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:	C18 H26 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2)C(C)(C)C
InChi:	InChI=1S/C18H26N2O7/c1-18(2,3)10-6-4-9(5-7-10)15(25)19-17(26)20-16-14(24)13(23)12(22)11(8-21)27-16/h4-7,11-14,16,21-24H,8H2,1-3H3,(H2,19,20,25,26)/t11-,12-,13+,14-,16-/m1/s1
Definition date:	2012-11-22
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine

2DX

2DX
Name:	(3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
Formula:	C30 H45 N5 O4
SMILES:	O=C(NC(C(=O)N2CC1N(CCC1)CC2C(=O)NC3c4c(OCC3)cccc4)C5CCCCC5)C(NC)CC
InChi:	InChI=1S/C30H45N5O4/c1-3-23(31-2)28(36)33-27(20-10-5-4-6-11-20)30(38)35-18-21-12-9-16-34(21)19-25(35)29(37)32-24-15-17-39-26-14-8-7-13-22(24)26/h7-8,13-14,20-21,23-25,27,31H,3-6,9-12,15-19H2,1-2H3,(H,32,37)(H,33,36)/t21-,23+,24-,25+,27+/m1/s1
Definition date:	2013-09-25
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide

2DY

2DY
Name:	(3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
Formula:	C34 H45 N5 O4
SMILES:	O=C(NC(C(=O)N3CC2N(c1ccccc1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)CC
InChi:	InChI=1S/C34H45N5O4/c1-3-26(35-2)32(40)37-31(22-11-5-4-6-12-22)34(42)39-20-24-19-23-13-7-9-15-28(23)38(24)21-29(39)33(41)36-27-17-18-43-30-16-10-8-14-25(27)30/h7-10,13-16,22,24,26-27,29,31,35H,3-6,11-12,17-21H2,1-2H3,(H,36,41)(H,37,40)/t24-,26-,27+,29-,31-/m0/s1
Definition date:	2013-09-25
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide

2F3

2F3
Name:	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
Formula:	C25 H17 Cl F N3 O3
SMILES:	O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C
InChi:	InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33)
Definition date:	2013-10-07
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid

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

2GV

2GV
Name:	(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
Formula:	C26 H23 N5 O2
SMILES:	O=C2OC(C)(C)C(c1ccccc1)N2c5ccc(c4cc(c3ncccn3)c(nc4)N)cc5
InChi:	InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1
Definition date:	2013-10-17
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

2GY

2GY
Name:	(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
Formula:	C26 H29 N5 O2
SMILES:	O=C2OC(C)(C)C(c1ccccc1)N2C5CCC(c4cc(c3ncccn3)c(nc4)N)CC5
InChi:	InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1
Definition date:	2013-10-17
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

HZN

HZN
Name:	hydrazine
Formula:	H4 N2
SMILES:	NN
InChi:	InChI=1S/H4N2/c1-2/h1-2H2
Definition date:	2013-10-17
Last modified:	2013-12-06
Release date:	2013-12-11
Identifier:	hydrazine

<1150 1151 1152 1153 1154 1155 115611571158 1159 1160 1161 1162 1163 1164 1165 >

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon