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IAP

IAP
Name:	4-IODO-ACETAMIDO PHENYLBORONIC ACID
Formula:	C8 H9 B I N O3
SMILES:	ICC(=O)Nc1cc(B(O)O)ccc1
InChi:	InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
Definition date:	2001-10-29
Last modified:	2011-06-04
Identifier:	{3-[(iodoacetyl)amino]phenyl}boronic acid

IBB

IBB
Name:	5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Formula:	C23 H20 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c4nc5c(n4)cc(cc5)C6NCCN6
InChi:	InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-(6-imidazolidin-2-yl-1H,3'H-2,5'-bibenzimidazol-2'-yl)phenol

IBG

IBG
Name:	GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE
Formula:	C17 H22 I N3 O6 S
SMILES:	Ic1ccccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChi:	InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
Definition date:	2002-08-06
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine

IBR

IBR
Name:	(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE
Formula:	C11 H12 Br N O3
SMILES:	BrCCOC(=O)Cc1c(cc(N)cc1)C=O
InChi:	InChI=1S/C11H12BrNO3/c12-3-4-16-11(15)6-8-1-2-10(13)5-9(8)7-14/h1-2,5,7H,3-4,6,13H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-bromoethyl (4-amino-2-formylphenyl)acetate

IBS

IBS
Name:	L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE
Formula:	C9 H19 O17 P3
SMILES:	O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(=O)CO)C(O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1
Definition date:	2001-03-12
Last modified:	2011-06-04
Identifier:	(1R,2R,3S,4R,5S,6S)-3,4,6-trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen (phosphate)]

IBZ

IBZ
Name:	2-IODOBENZYLTHIO GROUP
Formula:	C7 H7 I S
SMILES:	Ic1ccccc1CS
InChi:	InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2-iodophenyl)methanethiol

IC3

IC3
Name:	[2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
Formula:	C11 H7 F3 N5 O2
SMILES:	FC(F)(F)c2cc(c(n1ncc(C#N)c1N)cc2)[N+](=O)O
InChi:	InChI=1S/C11H7F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2,(H,20,21)/q+1
Definition date:	2008-12-12
Last modified:	2011-06-04
Identifier:	[2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium

IC
Name:	ISOCYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H14 N3 O8 P
SMILES:	O=C1N=C(N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:	InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2000-11-07
Last modified:	2011-06-04
Identifier:	2-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-4(1H)-one

ICC

ICC
Name:	azepan-2-one
Formula:	C6 H11 N O
SMILES:	O=C1NCCCCC1
InChi:	InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
Definition date:	2008-07-29
Last modified:	2011-06-04
Identifier:	azepan-2-one

ICL

ICL
Name:	[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Formula:	C17 H23 Cl N2 O4
SMILES:	O=Cc1c(cccc1Cl)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C
InChi:	InChI=1S/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	tert-butyl {(1S)-1-[(3-chloro-2-formylphenyl)carbamoyl]-2-methylpropyl}carbamate

ICO

ICO
Name:	1H-INDOLE-3-CARBOXYLIC ACID
Formula:	C9 H7 N O2
SMILES:	O=C(O)c2c1ccccc1nc2
InChi:	InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
Definition date:	2005-11-15
Last modified:	2011-06-04
Identifier:	1H-indole-3-carboxylic acid

ICR

ICR
Name:	(4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:	C9 H14 N3 O9 P
SMILES:	O=C(O)C1N=CN(C1=[N@H])C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-6,8,10,13-14H,1H2,(H,15,16)(H2,17,18,19)/b10-7-/t3-,4-,5-,6-,8-/m1/s1
Definition date:	2006-02-09
Last modified:	2011-06-04
Identifier:	(4R,5Z)-5-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid

ICX

ICX
Name:	methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
Formula:	C23 H25 I N2 O4
SMILES:	Ic1ccc(cc1)Cc2ccc(C(=O)NC=C/CCCC(=O)NCC(=O)OC)cc2
InChi:	InChI=1S/C23H25IN2O4/c1-30-22(28)16-26-21(27)5-3-2-4-14-25-23(29)19-10-6-17(7-11-19)15-18-8-12-20(24)13-9-18/h4,6-14H,2-3,5,15-16H2,1H3,(H,25,29)(H,26,27)/b14-4-
Definition date:	2008-04-25
Last modified:	2011-06-04
Identifier:	methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate

ID2

ID2
Name:	5-IODODEOXYURIDINE
Formula:	C9 H11 I N2 O5
SMILES:	IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO
InChi:	InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-iodouridine

IDH

IDH
Name:	(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE
Formula:	C4 H5 I N2 O2
SMILES:	O=C1NC(=O)NCC1I
InChi:	InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
Definition date:	2002-01-15
Last modified:	2011-06-04
Identifier:	(5S)-5-iododihydropyrimidine-2,4(1H,3H)-dione

IDI

IDI
Name:	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Formula:	C9 H10 I N
SMILES:	Ic1ccc2c(c1)CNCC2
InChi:	InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
Definition date:	2002-12-02
Last modified:	2011-06-04
Identifier:	7-iodo-1,2,3,4-tetrahydroisoquinoline

IDM

IDM
Name:	INDOLINE
Formula:	C8 H9 N
SMILES:	c1cccc2c1CCN2
InChi:	InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,3-dihydro-1H-indole

IDP

IDP
Name:	INOSINE-5'-DIPHOSPHATE
Formula:	C10 H14 N4 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
InChi:	InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	inosine 5'-(trihydrogen diphosphate)

IDZ

IDZ
Name:	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
Formula:	C14 H10 N4
SMILES:	n2c(c1ccccc1n2)c3nc4ccccc4n3
InChi:	InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
Definition date:	2005-10-10
Last modified:	2011-06-04
Identifier:	3-(1H-benzimidazol-2-yl)-1H-indazole

IET

IET
Name:	1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA
Formula:	C16 H12 Cl2 N4 S
SMILES:	Clc1cccc(Cl)c1CC(=[N@H])NC(=S)Nc2ccc(C#N)cc2
InChi:	InChI=1S/C16H12Cl2N4S/c17-13-2-1-3-14(18)12(13)8-15(20)22-16(23)21-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H3,20,21,22,23)
Definition date:	2001-12-03
Last modified:	2011-06-04
Identifier:	N-[(4-cyanophenyl)carbamothioyl]-2-(2,6-dichlorophenyl)ethanimidamide

4E6

4E6
Name:	(4E,6E)-hexadeca-1,4,6-triene
Formula:	C16 H28
SMILES:	C(=C/C=C/CCCCCCCCC)CC=C
InChi:	InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14-16H2,2H3/b9-7+,13-11+
Definition date:	2010-10-12
Last modified:	2011-06-04
Identifier:	(4E,6E)-hexadeca-1,4,6-triene

4EA

4EA
Name:	(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
Formula:	C23 H22 N4 O
SMILES:	n1ccc(cc1)C=Cc4cc(OCC(N)Cc3c2ccccc2nc3)cnc4
InChi:	InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
Definition date:	2005-12-23
Last modified:	2011-06-04
Identifier:	(2S)-1-(1H-indol-3-yl)-3-({5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl}oxy)propan-2-amine

4EB

4EB
Name:	4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Formula:	C29 H26 F N3 O5 S2
SMILES:	Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccc(cc4C)C
InChi:	InChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34)
Definition date:	2005-03-09
Last modified:	2011-06-04
Identifier:	N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamide

4F8

4F8
Name:	2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
Formula:	C11 H8 N2 O4
SMILES:	O=C(O)c2nc(c1ccccc1)nc2C(=O)O
InChi:	InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)
Definition date:	2010-08-25
Last modified:	2011-06-04
Identifier:	2-phenyl-1H-imidazole-4,5-dicarboxylic acid

4FA

4FA
Name:	4-FLUOROPHENETHYL ALCOHOL
Formula:	C8 H9 F O
SMILES:	Fc1ccc(cc1)CCO
InChi:	InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
Definition date:	2003-04-01
Last modified:	2011-06-04
Identifier:	2-(4-fluorophenyl)ethanol

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