Chemie Search results for query - 日本蛋白質結構資料庫

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: 7222 results BIRD

AQ2

AQ2
Name:	N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
Formula:	C21 H25 N3 O4 S2
SMILES:	O=S4(=O)CCC(NS(=O)(=O)c3ccc(c2ccnc1nc(cc12)C(C)C)cc3)CC4
InChi:	InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23)
Definition date:	2012-06-03
Last modified:	2014-09-05
Release date:	2013-05-01
Identifier:	N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide

7P9

7P9
Name:	[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
Formula:	C19 H37 O8 P
SMILES:	O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC
InChi:	InChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
Definition date:	2013-03-06
Last modified:	2014-09-05
Release date:	2014-03-26
Identifier:	(2R)-1-(heptanoyloxy)-3-(phosphonooxy)propan-2-yl nonanoate

2B4

2B4
Name:	2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID
Formula:	C9 H7 Br O5
SMILES:	Brc1ccc(OC(C(=O)O)C(=O)O)cc1
InChi:	InChI=1S/C9H7BrO5/c10-5-1-3-6(4-2-5)15-7(8(11)12)9(13)14/h1-4,7H,(H,11,12)(H,13,14)
Definition date:	2012-02-16
Last modified:	2014-09-05
Identifier:	(4-bromophenoxy)propanedioic acid

C23

C23
Name:	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
Formula:	C23 H25 N O3
SMILES:	O=C(c3oc2cccc(OC1CCNCC1)c2c3C)CCc4ccccc4
InChi:	InChI=1S/C23H25NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-9,18,24H,10-15H2,1H3
Definition date:	2012-07-06
Last modified:	2014-09-05
Release date:	2012-10-12
Identifier:	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one

82B

82B
Name:	3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide
Formula:	C26 H30 Br N7 O2
SMILES:	Brc1cc(n(c1)C)C(=O)Nc2c5c(nn2)C6(N(C(=O)NC(c3ccccc3)CN4CCCC4)C5)CC6
InChi:	InChI=1S/C26H30BrN7O2/c1-32-14-18(27)13-21(32)24(35)29-23-19-15-34(26(9-10-26)22(19)30-31-23)25(36)28-20(16-33-11-5-6-12-33)17-7-3-2-4-8-17/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,28,36)(H2,29,30,31,35)/t20-/m1/s1
Definition date:	2013-04-30
Last modified:	2014-09-05
Release date:	2013-08-21
Identifier:	3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-2',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide

88R

88R
Name:	2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID
Formula:	C12 H14 O6
SMILES:	O=C(O)C(C(=O)O)Cc1cc(OC)c(OC)cc1
InChi:	InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)
Definition date:	2012-02-16
Last modified:	2014-09-05
Identifier:	(3,4-dimethoxybenzyl)propanedioic acid

88S

88S
Name:	N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE
Formula:	C12 H14 N4 O2 S
SMILES:	O=C(N)NCCC(=O)Nc1ccc2nc(sc2c1)C
InChi:	InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)
Definition date:	2012-02-16
Last modified:	2014-09-05
Identifier:	N~3~-carbamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide

88V

88V
Name:	(4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID
Formula:	C24 H26 N4 O6 S
SMILES:	O=C(O)C(C(=O)O)Cc1ccc(cc1)CCNC(=O)NCCC(=O)Nc2ccc3nc(sc3c2)C
InChi:	InChI=1S/C24H26N4O6S/c1-14-27-19-7-6-17(13-20(19)35-14)28-21(29)9-11-26-24(34)25-10-8-15-2-4-16(5-3-15)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)
Definition date:	2012-02-16
Last modified:	2014-09-05
Identifier:	(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid

8PW

8PW
Name:	(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:	C23 H25 F6 N3 O5 S
SMILES:	O=S(=O)(c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C)CC3)C4
InChi:	InChI=1S/C23H25F6N3O5S/c1-20(4-5-20)19(34)32-10-14(9-16(32)18(33)31-21(11-30)6-7-21)38(35,36)17-3-2-13(37-12-22(24,25)26)8-15(17)23(27,28)29/h2-3,8,11,14,16,30H,4-7,9-10,12H2,1H3,(H,31,33)/b30-11+/t14-,16+/m1/s1
Definition date:	2013-06-03
Last modified:	2014-09-05
Release date:	2014-06-18
Identifier:	(4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-1-[(1-methylcyclopropyl)carbonyl]-4-{[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide

QLE

QLE
Name:	[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate
Formula:	C22 H37 N O5
SMILES:	O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CCN(C)C)C1C)C)C)CC
InChi:	InChI=1S/C22H37NO5/c1-8-19-14(2)9-10-18(24)15(3)13-16(4)21(17(5)22(26)27-19)28-20(25)11-12-23(6)7/h9-10,14-17,19,21H,8,11-13H2,1-7H3/b10-9+/t14-,15-,16+,17-,19-,21+/m1/s1
Definition date:	2012-08-17
Last modified:	2014-09-05
Release date:	2013-08-28
Identifier:	(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethyl-beta-alaninate

DLT

DLT
Name:	3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium
Formula:	C8 H17 F N O2
SMILES:	O=C(O)CCC[N+](C)(C)CCF
InChi:	InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1
Definition date:	2013-03-27
Last modified:	2014-09-05
Release date:	2014-03-12
Identifier:	3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium

R84

R84
Name:	4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid
Formula:	C29 H37 N3 O11 S
SMILES:	O=C(O)CCC(=O)Nc1cc(c(OC)cc1OC)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O
InChi:	InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26(33)7-8-27(34)35)44(39,40)30-17-20-5-3-4-6-22(20)32-13-11-19(12-14-32)18-43-29(38)10-9-28(36)37/h3-6,15-16,19,30H,7-14,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)
Definition date:	2011-12-05
Last modified:	2014-09-05
Identifier:	4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid

RPS

RPS
Name:	PHTALIMIDE-RUTHENIUM COMPLEX
Formula:	C20 H19 N2 O3 Ru S3
SMILES:	O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]675(C#[O+])S4CCS6CCS5CC4
InChi:	InChI=1S/C13H7N2O2.C6H12S3.CO.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11
Definition date:	2012-04-27
Last modified:	2014-09-05
Release date:	2012-09-28
Identifier:	carbonyl[1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium(1+)

RTK

RTK
Name:	trimethyl(3-oxidanylphosphonoylpropyl)azanium
Formula:	C6 H17 N O2 P
SMILES:	O=P(O)CCC[N+](C)(C)C
InChi:	InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1
Definition date:	2013-03-27
Last modified:	2014-09-05
Release date:	2014-03-12
Identifier:	3-[(R)-hydroxy(oxido)-lambda~5~-phosphanyl]-N,N,N-trimethylpropan-1-aminium

RUJ

RUJ
Name:	3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE
Formula:	C7 H17 N2 O2
SMILES:	O=C(O)CCN([N+](C)(C)C)C
InChi:	InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1
Definition date:	2013-04-03
Last modified:	2014-09-05
Release date:	2014-03-12
Identifier:	2-(2-carboxyethyl)-1,1,1,2-tetramethylhydrazinium

RVX

RVX
Name:	O-[methyl(2-methylpropoxy)phosphoryl]-L-serine
Formula:	C8 H18 N O5 P
SMILES:	O=C(O)C(N)COP(=O)(OCC(C)C)C
InChi:	InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1
Definition date:	2013-02-04
Last modified:	2014-09-05
Release date:	2013-03-27
Identifier:	O-[(R)-methyl(2-methylpropoxy)phosphoryl]-L-serine

MFK

MFK
Name:	decanoyl-CoA
Formula:	C31 H54 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCC
InChi:	InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1
Definition date:	2013-09-02
Last modified:	2014-08-29
Release date:	2014-09-03
Identifier:	S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} decanethioate (non-preferred name)

26N

26N
Name:	Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide
Formula:	C34 H30 F4 N6 O2
SMILES:	O=C(Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3ccc(cc3)C(F)(F)F)CC4)Cc6c5ccccc5nc6
InChi:	InChI=1S/C34H30F4N6O2/c35-29-20-26(44-17-15-43(16-18-44)25-7-5-23(6-8-25)34(36,37)38)9-10-28(29)32(45)42-31(33(46)41-24-11-13-39-14-12-24)19-22-21-40-30-4-2-1-3-27(22)30/h1-14,20-21,31,40H,15-19H2,(H,42,45)(H,39,41,46)/t31-/m1/s1
Definition date:	2013-08-19
Last modified:	2014-08-29
Release date:	2014-09-03
Identifier:	Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide

VPM

VPM
Name:	(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
Formula:	C7 H12 O5
SMILES:	O=C(O)C(O)(CC(=O)O)C(C)C
InChi:	InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
Definition date:	2014-03-04
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid

31M

31M
Name:	3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)
Formula:	C24 H33 N8 O8 P S
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(NC(=O)C(N)CCSC)Cc3ccccc3
InChi:	InChI=1S/C24H33N8O8PS/c1-42-8-7-14(25)22(34)30-15(9-13-5-3-2-4-6-13)23(35)31-17-16(10-39-41(36,37)38)40-24(19(17)33)32-12-29-18-20(26)27-11-28-21(18)32/h2-6,11-12,14-17,19,24,33H,7-10,25H2,1H3,(H,30,34)(H,31,35)(H2,26,27,28)(H2,36,37,38)/t14-,15-,16+,17+,19+,24+/m0/s1
Definition date:	2014-05-20
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	3'-deoxy-3'-[(L-methionyl-L-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)

I5U

I5U
Name:	N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Formula:	C27 H29 N5 O2 S2
SMILES:	N(/c1cc(ccc1)COC(CN)COCc3cccc(NC(=[N@H])c2sccc2)c3)=C(N)c4sccc4
InChi:	InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m1/s1
Definition date:	2014-06-17
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide

F3N

F3N
Name:	3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
Formula:	C19 H24 N7 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4NC(=O)C(N)Cc3ccccc3
InChi:	InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12+,13+,15+,19+/m0/s1
Definition date:	2014-05-18
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)

7LN

7LN
Name:	N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Formula:	C27 H29 N5 O2 S2
SMILES:	N(/c1cc(ccc1)COCC(OCc3cccc(NC(=[N@H])c2sccc2)c3)CN)=C(N)c4sccc4
InChi:	InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1
Definition date:	2014-06-17
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide

25S

25S
Name:	(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide
Formula:	C33 H29 F3 N6 O2
SMILES:	O=C(Nc1ccncc1)C(NC(=O)c4ccc(N3CCN(c2cc(F)c(F)cc2)CC3)cc4F)Cc6c5ccccc5nc6
InChi:	InChI=1S/C33H29F3N6O2/c34-27-8-6-24(19-29(27)36)42-15-13-41(14-16-42)23-5-7-26(28(35)18-23)32(43)40-31(33(44)39-22-9-11-37-12-10-22)17-21-20-38-30-4-2-1-3-25(21)30/h1-12,18-20,31,38H,13-17H2,(H,40,43)(H,37,39,44)/t31-/m1/s1
Definition date:	2014-06-23
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	Nalpha-{4-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide

2QJ

2QJ
Name:	(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Formula:	C16 H12 Br Cl F3 N O4 S
SMILES:	O=S(=O)(c1cc(Br)ccc1)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(Cl)c2
InChi:	InChI=1S/C16H12BrClF3NO4S/c1-15(24,16(19,20)21)14(23)22-13-6-5-11(8-12(13)18)27(25,26)10-4-2-3-9(17)7-10/h2-8,24H,1H3,(H,22,23)/t15-/m1/s1
Definition date:	2014-01-08
Last modified:	2014-08-08
Release date:	2014-08-13
Identifier:	(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

<208 209 210 211 212 213 214215216 217 218 219 220 221 222 223 >

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon