Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 5225 件 BIRD

19U

19U
表記:	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide
組成式:	C16 H22 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C2N(C(=O)C(N)CC)CCC2
InChi:	InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1
定義日:	2008-01-17
最終更新日:	2012-01-11
識別子（ID）:	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide

ZXZ

ZXZ
表記:	1,4-dimethylquinolin-2(1H)-one
組成式:	C11 H11 N O
SMILES:	O=C2C=C(c1c(cccc1)N2C)C
InChi:	InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	1,4-dimethylquinolin-2(1H)-one

YTR

YTR
表記:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
組成式:	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
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

RZW

RZW
表記:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
組成式:	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
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

VAP

VAP
表記:	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
組成式:	C14 H17 N O4
SMILES:	O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2C)C
InChi:	InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)12-9(8)7-10(17-3)13(18-4)14(12)19-5/h6-7H,1-5H3
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one

08W

08W
表記:	N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide
組成式:	C15 H13 F3 N6 O5 S
SMILES:	O=C(NC)c3ncn(c2c(cc1c(C(=O)N(C(=O)N1)NS(=O)(=O)C)c2)C(F)(F)F)c3
InChi:	InChI=1S/C15H13F3N6O5S/c1-19-12(25)10-5-23(6-20-10)11-3-7-9(4-8(11)15(16,17)18)21-14(27)24(13(7)26)22-30(2,28)29/h3-6,22H,1-2H3,(H,19,25)(H,21,27)
定義日:	2011-10-26
最終更新日:	2012-01-06
識別子（ID）:	N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide

VVV

VVV
表記:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one
組成式:	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)
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	5,6,8-trimethoxy-4-methylquinolin-2(1H)-one

M42

M42
表記:	6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one
組成式:	C11 H9 N O3
SMILES:	O=C1C=C(c3c(N1)c2OCOc2cc3)C
InChi:	InChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13)
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

A2Z

A2Z
表記:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one
組成式:	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
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

A7B

A7B
表記:	8-methoxy-4-methylquinolin-2(1H)-one
組成式:	C11 H11 N O2
SMILES:	O=C2C=C(c1c(c(OC)ccc1)N2)C
InChi:	InChI=1S/C11H11NO2/c1-7-6-10(13)12-11-8(7)4-3-5-9(11)14-2/h3-6H,1-2H3,(H,12,13)
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	8-methoxy-4-methylquinolin-2(1H)-one

HGZ

HGZ
表記:	6,7,8-trimethoxy-4-methylquinolin-2(1H)-one
組成式:	C13 H15 N O4
SMILES:	O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2)C
InChi:	InChI=1S/C13H15NO4/c1-7-5-10(15)14-11-8(7)6-9(16-2)12(17-3)13(11)18-4/h5-6H,1-4H3,(H,14,15)
定義日:	2010-06-29
最終更新日:	2012-01-06
識別子（ID）:	6,7,8-trimethoxy-4-methylquinolin-2(1H)-one

EWQ

EWQ
表記:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
組成式:	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
定義日:	2010-06-11
最終更新日:	2012-01-06
識別子（ID）:	6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one

PHW

PHW
表記:	N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide
組成式:	C45 H48 N3 O9 P
SMILES:	O=C(NC(CC=COC)P(Oc1ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O)OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6
InChi:	InChI=1S/C45H48N3O9P/c1-54-32-18-30-40(58(52,53,56-37-25-13-5-14-26-37)57-38-27-15-6-16-28-38)46-43(49)39-29-17-31-48(39)44(50)42(47-45(51)55-33-34-19-7-2-8-20-34)41(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h2-16,18-28,32,39-42,52-53H,17,29-31,33H2,1H3,(H,46,49)(H,47,51)/b32-18+/t39-,40-,42+/m0/s1
定義日:	2001-02-07
最終更新日:	2012-01-05
識別子（ID）:	N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide

TSL

TSL
表記:	TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
組成式:	C8 H13 N O5 S
SMILES:	O=S(O)C(C(NC=CC=O)C(=O)O)(C)C
InChi:	InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1
定義日:	2005-07-28
最終更新日:	2012-01-05
識別子（ID）:	N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

PC5

PC5
表記:	1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
組成式:	C18 H36 N O6 P S2
SMILES:	O=C(OC(COP([S-])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC
InChi:	InChI=1S/C18H36NO6PS2/c1-6-8-10-17(20)22-14-16(25-18(21)11-9-7-2)15-24-26(27,28)23-13-12-19(3,4)5/h16H,6-15H2,1-5H3/t16-/m1/s1
定義日:	2003-05-02
最終更新日:	2012-01-05
識別子（ID）:	O-[(2R)-2,3-bis(pentanoyloxy)propyl] O-[2-(trimethylammonio)ethyl] dithiophosphate

2XY

2XY
表記:	N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
組成式:	C11 H12 F3 N3 O3
SMILES:	[O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F
InChi:	InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2
定義日:	2008-10-31
最終更新日:	2012-01-05

31U

31U
表記:	D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
組成式:	C19 H29 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)C(N)CC(C)C)CCC2
InChi:	InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1
定義日:	2008-05-07
最終更新日:	2012-01-05
識別子（ID）:	D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

32U

32U
表記:	D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide
組成式:	C22 H28 N5 O2
SMILES:	O=C(NCc1ccc(C(=[NH2+])N)cc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:	InChI=1S/C22H27N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H3,24,25)(H,26,28)/p+1/t18-,19+/m1/s1
定義日:	2007-11-22
最終更新日:	2012-01-05
識別子（ID）:	D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide

33U

33U
表記:	beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
組成式:	C28 H31 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4
InChi:	InChI=1S/C28H31N5O2/c29-25(24(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-17-7-12-23(33)27(34)32-18-19-13-15-22(16-14-19)26(30)31/h1-6,8-11,13-16,23-25H,7,12,17-18,29H2,(H3,30,31)(H,32,34)/t23-,25+/m0/s1
定義日:	2008-05-12
最終更新日:	2012-01-05
識別子（ID）:	beta-phenyl-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

34P

34P
表記:	N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE
組成式:	C21 H32 N6 O4 S
SMILES:	O=C(NCc1nc(cs1)C(=[N@H])N)C3N(C(=O)C(NCC(=O)O)CC2CCCCC2)CCC3
InChi:	InChI=1S/C21H32N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h12-14,16,24H,1-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
定義日:	2006-01-06
最終更新日:	2012-01-05
識別子（ID）:	N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide

MCO

MCO
表記:	1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
組成式:	C9 H15 N O3 S
SMILES:	O=C(O)C1N(C(=O)C(C)CS)CCC1
InChi:	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m1/s1
定義日:	2001-08-28
最終更新日:	2012-01-05
識別子（ID）:	1-[(2S)-2-methyl-3-sulfanylpropanoyl]-D-proline

MTW

MTW
表記:	HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
組成式:	C19 H15 N7 O2
SMILES:	[O-][N+](=O)c4cccc(N=C1N=CCC(=N1)c2cc(ccc2)Cn3ncnc3)c4
InChi:	InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19-
定義日:	2005-11-03
最終更新日:	2012-01-05
識別子（ID）:	3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline

3PC

3PC
表記:	(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
組成式:	C21 H42 N O7 P
SMILES:	O=P([O-])(OCC[N+](C)(C)C)CCC(OC(=O)CCCCC)COC(=O)CCCCC
InChi:	InChI=1S/C21H42NO7P/c1-6-8-10-12-20(23)27-18-19(29-21(24)13-11-9-7-2)14-17-30(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m0/s1
定義日:	2003-05-02
最終更新日:	2012-01-05
識別子（ID）:	2-(trimethylammonio)ethyl [(3S)-3,4-bis(hexanoyloxy)butyl]phosphonate

3SP

3SP
表記:	N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE
組成式:	C22 H33 N5 O4 S
SMILES:	O=C(NCc1sc(cc1)C(=[N@H])N)C3N(C(=O)C(NCC(=O)O)CC2CCCCC2)CCC3
InChi:	InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
定義日:	2006-01-06
最終更新日:	2012-01-05
識別子（ID）:	N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(5-carbamimidoylthiophen-2-yl)methyl]-L-prolinamide

389

389
表記:	L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide
組成式:	C27 H36 N4 O3
SMILES:	CC(C)[CH](NC(=O)[CH](C)N)C(=O)N1CCC[CH]1C(=O)NCC(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1
定義日:	2008-11-12
最終更新日:	2012-01-05

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