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: 35504 results BIRD

AK1

AK1
Name:	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
Formula:	C19 H15 F3 N6 O S2
SMILES:	FC(F)(F)c1cc(ccc1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3
InChi:	InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
Definition date:	2008-05-05
Last modified:	2011-06-04
Identifier:	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea

AK2

AK2
Name:	1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
Formula:	C18 H15 Cl N6 O S2
SMILES:	Clc1cccc(c1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3
InChi:	InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
Definition date:	2008-05-05
Last modified:	2011-06-04
Identifier:	1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea

AK4

AK4
Name:	(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid
Formula:	C19 H17 Cl N8 O3 S
SMILES:	O=C(Nc1ncc(s1)CCNc3ncnc2c3n(nc2)CC(=O)O)Nc4cccc(Cl)c4
InChi:	InChI=1S/C19H17ClN8O3S/c20-11-2-1-3-12(6-11)26-18(31)27-19-22-7-13(32-19)4-5-21-17-16-14(23-10-24-17)8-25-28(16)9-15(29)30/h1-3,6-8,10H,4-5,9H2,(H,29,30)(H,21,23,24)(H2,22,26,27,31)
Definition date:	2008-05-12
Last modified:	2011-06-04
Identifier:	(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid

TAQ

TAQ
Name:	2,4,6-TRIAMINOQUINAZOLINE
Formula:	C8 H9 N5
SMILES:	n2c1c(cc(cc1)N)c(nc2N)N
InChi:	InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
Definition date:	2004-06-02
Last modified:	2011-06-04
Identifier:	quinazoline-2,4,6-triamine

AK5

AK5
Name:	3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide
Formula:	C21 H20 Br N5 O3 S
SMILES:	Brc3c(SCCC(=O)Nc2cc(C(=O)Nc1ccccc1)ccc2OC)ncnc3N
InChi:	InChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25)
Definition date:	2008-06-24
Last modified:	2011-06-04
Identifier:	3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide

TAR

TAR
Name:	D(-)-TARTARIC ACID
Formula:	C4 H6 O6
SMILES:	O=C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S,3S)-2,3-dihydroxybutanedioic acid

AK6

AK6
Name:	4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
Formula:	C25 H24 N4 O3 S
SMILES:	O=C(Nc1ccccc1)c2cc(c(OC)cc2)NC(=O)CCSCc3cc4c(nc3)ncc4
InChi:	InChI=1S/C25H24N4O3S/c1-32-22-8-7-19(25(31)28-20-5-3-2-4-6-20)14-21(22)29-23(30)10-12-33-16-17-13-18-9-11-26-24(18)27-15-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,26,27)(H,28,31)(H,29,30)
Definition date:	2008-06-24
Last modified:	2011-06-04
Identifier:	4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide

AK7

AK7
Name:	1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Formula:	C17 H15 Br F3 N7 O S
SMILES:	O=C(Nc1ncc(s1)CCNc2ncnc(N)c2Br)Nc3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C17H15BrF3N7OS/c18-12-13(22)25-8-26-14(12)23-5-4-11-7-24-16(30-11)28-15(29)27-10-3-1-2-9(6-10)17(19,20)21/h1-3,6-8H,4-5H2,(H3,22,23,25,26)(H2,24,27,28,29)
Definition date:	2008-06-24
Last modified:	2011-06-04
Identifier:	1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

TAU

TAU
Name:	2-AMINOETHANESULFONIC ACID
Formula:	C2 H7 N O3 S
SMILES:	O=S(=O)(O)CCN
InChi:	InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
Definition date:	2001-12-05
Last modified:	2011-06-04
Identifier:	2-aminoethanesulfonic acid

TB0

TB0
Name:	tert-butyl isocyanide
Formula:	C5 H9 N
SMILES:	2-isocyano-2-methylpropane
InChi:	InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
Definition date:	2008-07-14
Last modified:	2011-06-04
Identifier:	tert-butyl isocyanide

AKI

AKI
Name:	1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
Formula:	C33 H27 N5 O2
SMILES:	O=C(Nc1ccccc1)Nc2ccc(cc2)CCNc3ncnc4oc(c(c34)c5ccccc5)c6ccccc6
InChi:	InChI=1S/C33H27N5O2/c39-33(37-26-14-8-3-9-15-26)38-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)40-32(29)36-22-35-31/h1-19,22H,20-21H2,(H,34,35,36)(H2,37,38,39)
Definition date:	2010-03-18
Last modified:	2011-06-04
Identifier:	1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea

TB2

TB2
Name:	(4-tert-butylphenyl)acetaldehyde
Formula:	C12 H16 O
SMILES:	O=CCc1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3
Definition date:	2011-03-16
Last modified:	2011-06-04
Identifier:	(4-tert-butylphenyl)acetaldehyde

AKP

AKP
Name:	N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE
Formula:	C41 H60 N7 O13 P
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)(O)C(=O)NC(C(=O)O)Cc1ccc(OP(=O)(O)O)cc1)CC=C)CC2CCCCC2)C(C)CC)CC(C)C)c3nccnc3
InChi:	InChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
Definition date:	2004-08-30
Last modified:	2011-06-04
Identifier:	N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide

TBC

TBC
Name:	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
Formula:	C20 H16 O
SMILES:	OC5Cc2c(cc1ccc4c3c1c2ccc3ccc4)CC5
InChi:	InChI=1S/C20H16O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-5,7,9-10,16,21H,6,8,11H2
Definition date:	2002-11-26
Last modified:	2011-06-04
Identifier:	(9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-9-ol

TBP

TBP
Name:	2,4,6-TRIBROMOPHENOL
Formula:	C6 H3 Br3 O
SMILES:	Brc1cc(Br)cc(Br)c1O
InChi:	InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
Definition date:	2000-07-24
Last modified:	2011-06-04
Identifier:	2,4,6-tribromophenol

TBT

TBT
Name:	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL
Formula:	C18 H16 O3
SMILES:	OC4c3c(cc1c(ccc2ccccc12)c3)CC(O)C4O
InChi:	InChI=1S/C18H16O3/c19-16-9-12-8-14-11(7-15(12)17(20)18(16)21)6-5-10-3-1-2-4-13(10)14/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1
Definition date:	1999-12-06
Last modified:	2011-06-04
Identifier:	(8S,9S,10S)-8,9,10,11-tetrahydrotetraphene-8,9,10-triol

ALG

ALG
Name:	4-carbamimidamidobutanoic acid
Formula:	C5 H11 N3 O2
SMILES:	O=C(O)CCCNC(=[N@H])N
InChi:	InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-carbamimidamidobutanoic acid

TC1

TC1
Name:	3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE
Formula:	C15 H16 N3 O7 P S
SMILES:	O=P(O)(O)OCC4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O
InChi:	InChI=1S/C15H16N3O7PS/c19-9-5-13(25-10(9)7-24-26(21,22)23)18-6-12-14(17-15(18)20)16-8-3-1-2-4-11(8)27-12/h1-4,6,9-10,13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,10+,13+/m0/s1
Definition date:	2004-07-18
Last modified:	2011-06-04
Identifier:	3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one

TC4

TC4
Name:	BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP
Formula:	C17 H35 N2 O6 P
SMILES:	O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC
InChi:	InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis[(butylcarbamoyl)oxy]propyl (S)-butylphosphinate

TC7

TC7
Name:	2,4,5-trichlorophenol
Formula:	C6 H3 Cl3 O
SMILES:	Clc1cc(O)c(Cl)cc1Cl
InChi:	InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	2,4,5-trichlorophenol

TC9

TC9
Name:	D-TUBOCURARINE
Formula:	C37 H42 N2 O6
SMILES:	COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
InChi:	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
Definition date:	2010-11-19
Last modified:	2011-06-04

TCA

TCA
Name:	PHENYLETHYLENECARBOXYLIC ACID
Formula:	C9 H8 O2
SMILES:	O=C(O)C=Cc1ccccc1
InChi:	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2E)-3-phenylprop-2-enoic acid

ALR

ALR
Name:	ALRESTATIN
Formula:	C14 H9 N O4
SMILES:	O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O
InChi:	InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid

TCC

TCC
Name:	2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
Formula:	C12 H9 Cl2 N O
SMILES:	Clc2cc(Cl)ccc2Nc1ccccc1O
InChi:	InChI=1S/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H
Definition date:	2003-01-17
Last modified:	2011-06-04
Identifier:	2-[(2,4-dichlorophenyl)amino]phenol

TCD

TCD
Name:	3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
Formula:	C16 H8 Cl4 N2 O2
SMILES:	Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2
InChi:	InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
Definition date:	2004-10-27
Last modified:	2011-06-04
Identifier:	2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)

<1356 1357 1358 1359 1360 1361 136213631364 1365 1366 1367 1368 1369 1370 1371 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon