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

521

521
Name:	5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
Formula:	C12 H9 Cl N2 O3 S2
SMILES:	O=C3NS(=O)(=O)N(c1c(Cl)c(sc1)c2ccccc2)C3
InChi:	InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16)
Definition date:	2006-11-09
Last modified:	2011-06-04
Identifier:	5-(4-chloro-5-phenylthiophen-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide

527

527
Name:	5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C25 H25 Br N2 O7 S2
SMILES:	O=S(=O)(N3CCC(Nc1cccc(c1)c2sc(c(OCC(=O)O)c2Br)C(=O)O)CC3)Cc4ccccc4
InChi:	InChI=1S/C25H25BrN2O7S2/c26-21-22(35-14-20(29)30)24(25(31)32)36-23(21)17-7-4-8-19(13-17)27-18-9-11-28(12-10-18)37(33,34)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,29,30)(H,31,32)
Definition date:	2006-06-20
Last modified:	2011-06-04
Identifier:	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

528

528
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Formula:	C23 H33 N2 O6 P S
SMILES:	O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCCc2ccccc2
InChi:	InChI=1S/C23H33N2O6PS/c1-17(2)22(25-33(30,31)13-7-11-18-8-4-3-5-9-18)32(28,29)16-21(23(26)27)20-12-6-10-19(14-20)15-24/h3-6,8-10,12,14,17,21-22,25H,7,11,13,15-16,24H2,1-2H3,(H,26,27)(H,28,29)/t21-,22+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-{(R)-hydroxy[(1R)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid

52B

52B
Name:	(2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Formula:	C11 H5 Cl2 F3 O3
SMILES:	OC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[CH]1C(F)(F)F
InChi:	InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)/t9-/m0/s1
Definition date:	2010-02-22
Last modified:	2011-06-04
Identifier:	(2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

52D

52D
Name:	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Formula:	C18 H20 N2 O2
SMILES:	O=C(c1ccncc1)c3ccc(OCCN2CCCC2)cc3
InChi:	InChI=1S/C18H20N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

52P

52P
Name:	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
Formula:	C19 H9 Cl2 F2 N3 O S
SMILES:	Fc4ccc(SC1=NN2C(C=C1)=C(C(=O)N=C2)c3c(Cl)cccc3Cl)c(F)c4
InChi:	InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
Definition date:	2008-11-26
Last modified:	2011-06-04
Identifier:	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one

530

530
Name:	6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine
Formula:	C16 H15 F2 N5 O2
SMILES:	Fc4ccc(Oc1ncc2c(nnc2n1)NC3CCOCC3)c(F)c4
InChi:	InChI=1S/C16H15F2N5O2/c17-9-1-2-13(12(18)7-9)25-16-19-8-11-14(22-23-15(11)21-16)20-10-3-5-24-6-4-10/h1-2,7-8,10H,3-6H2,(H2,19,20,21,22,23)
Definition date:	2009-01-06
Last modified:	2011-06-04
Identifier:	6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine

537

537
Name:	2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE
Formula:	C14 H8 N2 O
SMILES:	O=C4c1cccc2c1c(nn2)c3ccccc34
InChi:	InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
Definition date:	2003-06-16
Last modified:	2011-06-04
Identifier:	dibenzo[cd,g]indazol-6(2H)-one

538

538
Name:	4'-[(2,3-dimethyl-5-{[(1S)-1-phenylpropyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid
Formula:	C34 H32 N2 O3
SMILES:	CC[CH](NC(=O)c1ccc2n(Cc3ccc(cc3)c4ccccc4C(O)=O)c(C)c(C)c2c1)c5ccccc5
InChi:	InChI=1S/C34H32N2O3/c1-4-31(26-10-6-5-7-11-26)35-33(37)27-18-19-32-30(20-27)22(2)23(3)36(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)34(38)39/h5-20,31H,4,21H2,1-3H3,(H,35,37)(H,38,39)/t31-/m0/s1
Definition date:	2009-12-14
Last modified:	2011-06-04
Identifier:	2-[4-[[2,3-dimethyl-5-[[(1S)-1-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

53N

53N
Name:	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Formula:	C13 H11 N O4 S
SMILES:	O=C(O)CCc1sc(cc1)c2cccc([N+]([O-])=O)c2
InChi:	InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16)
Definition date:	2008-07-03
Last modified:	2011-06-04
Identifier:	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid

541

541
Name:	(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
Formula:	C25 H27 N3 O4
SMILES:	O=C(NO)C(N4C(=O)C(c3ccc(OCc1c2ccccc2nc(c1)C)cc3)(C)CC4)C
InChi:	InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
Definition date:	2006-02-01
Last modified:	2011-06-04
Identifier:	(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide

542

542
Name:	N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:	C26 H25 F N6 O6
SMILES:	Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NC)C(O)C5O
InChi:	InChI=1S/C26H25FN6O6/c1-28-23-19-24(31-11-30-23)33(12-32-19)26-22(37)21(36)18(39-26)3-2-8-29-25(38)16-9-14(10-17(34)20(16)35)13-4-6-15(27)7-5-13/h2-7,9-12,18,21-22,26,34-37H,8H2,1H3,(H,29,38)(H,28,30,31)/b3-2+/t18-,21-,22-,26-/m1/s1
Definition date:	2009-06-22
Last modified:	2011-06-04
Identifier:	N-methyl-9-[(5E)-5,6,7-trideoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

54D

54D
Name:	methyl thiophene-2-carboxylate
Formula:	C6 H6 O2 S
SMILES:	O=C(OC)c1sccc1
InChi:	InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
Definition date:	2008-05-23
Last modified:	2011-06-04
Identifier:	methyl thiophene-2-carboxylate

550

550
Name:	methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
Formula:	C24 H24 N2 O5
SMILES:	O=C(NO)C1CC1(C(=O)OC)Cc4ccc(OCc2c3ccccc3nc(c2)C)cc4
InChi:	InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1
Definition date:	2008-09-10
Last modified:	2011-06-04
Identifier:	methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate

553

553
Name:	(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:	C13 H14 F N5 O
SMILES:	O=C2c1cc(nc1C(CN2)CCF)c3nc(ncc3)N
InChi:	InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1
Definition date:	2008-07-18
Last modified:	2011-06-04
Identifier:	(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

555

555
Name:	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME
Formula:	C17 H13 N O2
SMILES:	Oc3ccc(c1ccc(C=NO)c2c1cccc2)cc3
InChi:	InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+
Definition date:	2006-11-14
Last modified:	2011-06-04
Identifier:	4-(4-hydroxyphenyl)naphthalene-1-carbaldehyde oxime

55F

55F
Name:	N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide
Formula:	C19 H15 F N6 O
SMILES:	O=C(Nc3nc(c(c2cc1nccnc1cc2)n3)c4nc(c(F)cc4)C)C
InChi:	InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)
Definition date:	2008-11-19
Last modified:	2011-06-04
Identifier:	N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide

561

561
Name:	6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-YL}-1-BENZOFURAN-5-CARBOXYLIC ACID
Formula:	C25 H24 N4 O5
SMILES:	O=C(Nc2c1ccccc1ccc2)CCCN5NNC(c3c4cc(c(O)cc4oc3)C(=O)O)C5
InChi:	InChI=1S/C25H24N4O5/c30-22-12-23-17(11-18(22)25(32)33)19(14-34-23)21-13-29(28-27-21)10-4-9-24(31)26-20-8-3-6-15-5-1-2-7-16(15)20/h1-3,5-8,11-12,14,21,27-28,30H,4,9-10,13H2,(H,26,31)(H,32,33)/t21-/m0/s1
Definition date:	2007-06-21
Last modified:	2011-06-04
Identifier:	6-hydroxy-3-{(4R)-1-[4-(naphthalen-1-ylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid

565

565
Name:	(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE
Formula:	C16 H20 F3 N3 O2
SMILES:	O=C(N1C(C(=O)NCCC1)C)CC(N)Cc2cc(F)c(F)cc2F
InChi:	InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1
Definition date:	2006-10-02
Last modified:	2011-06-04
Identifier:	(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one

566

566
Name:	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Formula:	C17 H22 N2 O2
SMILES:	O=C3N(C1CCCCC1)CC(C(=O)Nc2ccccc2)C3
InChi:	InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
Definition date:	2006-06-12
Last modified:	2011-06-04
Identifier:	(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

567

567
Name:	2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
Formula:	C26 H31 N7 O7 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC(=O)O)Cc3c2ccccc2nc3)CCC(=O)N
InChi:	InChI=1S/C26H31N7O7S/c27-22(34)10-9-20(25(37)31-12-15-5-7-16(8-6-15)24(28)29)32-26(38)21(33-41(39,40)14-23(35)36)11-17-13-30-19-4-2-1-3-18(17)19/h1-8,13,20-21,30,33H,9-12,14H2,(H2,27,34)(H3,28,29)(H,31,37)(H,32,38)(H,35,36)/t20-,21+/m0/s1
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	N-[(carboxymethyl)sulfonyl]-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

568

568
Name:	N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Formula:	C34 H40 N2 O9
SMILES:	O=C(NC1CC(OC1)CO)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O
InChi:	InChI=1S/C34H40N2O9/c37-17-25-16-24(20-43-25)35-33(41)31(44-18-21-9-3-1-4-10-21)29(39)30(40)32(45-19-22-11-5-2-6-12-22)34(42)36-28-26-14-8-7-13-23(26)15-27(28)38/h1-14,24-25,27-32,37-40H,15-20H2,(H,35,41)(H,36,42)/t24-,25-,27+,28-,29+,30+,31+,32+/m0/s1
Definition date:	2004-11-02
Last modified:	2011-06-04
Identifier:	(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(3S,5S)-5-(hydroxymethyl)tetrahydrofuran-3-yl]hexanediamide (non-preferred name)

569

569
Name:	(5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C21 H15 F4 N5 O2
SMILES:	O=C3N(C(=NC3(c2cc(c1cncnc1)c(F)cc2)c4ccc(OC(F)(F)F)cc4)N)C
InChi:	InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-2-5-15(6-3-13)32-21(23,24)25)14-4-7-17(22)16(8-14)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)/t20-/m1/s1
Definition date:	2009-08-21
Last modified:	2011-06-04
Identifier:	(5R)-2-amino-5-[4-fluoro-3-(pyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one

218

218
Name:	1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM
Formula:	C14 H19 N4 O
SMILES:	n1c(N)c(cnc1C)C[n+]2cccc(c2C)CCO
InChi:	InChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1
Definition date:	2006-07-24
Last modified:	2011-06-04
Identifier:	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium

21P

21P
Name:	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
Formula:	C21 H26 O4 Si2
SMILES:	O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)[Si](C[Si]4(C)C)(C)C
InChi:	InChI=1S/C21H26O4Si2/c1-26(2)14-27(3,4)19-13-17(9-10-18(19)26)21(24-11-12-25-21)16-7-5-15(6-8-16)20(22)23/h5-10,13H,11-12,14H2,1-4H3,(H,22,23)
Definition date:	2009-01-21
Last modified:	2011-06-04
Identifier:	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid

<1350 1351 1352 1353 1354 1355 135613571358 1359 1360 1361 1362 1363 1364 1365 >

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon