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E40

E40
Name:	(2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide
Formula:	C28 H29 N3 O8 S
SMILES:	O=S(=O)(c2ccc(c1ccc(OC)cc1)cc2)N(OC(C)C)C(C(=O)NO)CCN4C(=O)c3ccccc3C4=O
InChi:	InChI=1S/C28H29N3O8S/c1-18(2)39-31(40(36,37)22-14-10-20(11-15-22)19-8-12-21(38-3)13-9-19)25(26(32)29-35)16-17-30-27(33)23-6-4-5-7-24(23)28(30)34/h4-15,18,25,35H,16-17H2,1-3H3,(H,29,32)/t25-/m1/s1
Synonyms:	EN140
Definition date:	2014-11-22
Last modified:	2021-03-01
Release date:	2015-08-26
Identifier:	(2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide

E4B

E4B
Name:	ethyl 4-hydroxybenzoate
Formula:	C9 H10 O3
SMILES:	O=C(OCC)c1ccc(O)cc1
InChi:	InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Synonyms:	Ethyl p-hydroxybenzoate
Definition date:	2012-05-11
Last modified:	2021-03-01
Identifier:	ethyl 4-hydroxybenzoate

E4D

E4D
Name:	(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL
Formula:	C27 H29 N O4 S
SMILES:	O2c5c(SC(c1ccc(O)cc1)C2c4ccc(OCCN3CCCCC3)cc4)cc(O)cc5
InChi:	InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1
Synonyms:	COMPOUND 4-D
Definition date:	2004-03-10
Last modified:	2021-03-01
Identifier:	(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

E4R

E4R
Name:	(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol
Formula:	C23 H34 O4
SMILES:	C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[C]3(O)CC[C]4(O)c5cocc5
InChi:	InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1
Synonyms:	Rostafuroxin
Definition date:	2019-10-16
Last modified:	2021-03-01
Release date:	2020-09-02
Identifier:	(3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,14,17-triol

4M0

4M0
Name:	2-azanyl-4-methyl-benzoic acid
Formula:	C8 H9 N O2
SMILES:	O=C(O)c1ccc(cc1N)C
InChi:	InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
Synonyms:	4-methylanthranilate
Definition date:	2014-02-06
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	2-amino-4-methylbenzoic acid

4M2

4M2
Name:	3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine
Formula:	C37 H50 N6 O14
SMILES:	c12ncnc(c1ncn2C6C(C(NC(C(=[C@H]c5ccc(OC4OC(=C(/COC3C(C(OC)C(C(O3)C)OC)O)OC)/C(O)C4O)cc5)C)=O)C(O6)CO)O)N(C)C
InChi:	InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26+,27+,28+,29-,31-,35-,36+,37+/m1/s1
Synonyms:	A201A
Definition date:	2015-04-14
Last modified:	2021-03-01
Release date:	2015-06-03
Identifier:	3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine

4MW

4MW
Name:	2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide
Formula:	C38 H37 Cl N8 O7 S
SMILES:	O=C(NCCCCNC(COc1cccc3c1C(N(C2C(NC(CC2)=O)=O)C3=O)=O)=O)CC4N=C(c6c(n5c4nnc5C)sc(c6C)C)c7ccc(cc7)Cl
InChi:	InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26-/m0/s1
Synonyms:	DB-2-190
Definition date:	2015-04-16
Last modified:	2021-03-01
Release date:	2015-11-18
Identifier:	2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide

4NS

4NS
Name:	4-nitrophenyl sulfate
Formula:	C6 H5 N O6 S
SMILES:	O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O
InChi:	InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
Synonyms:	4-nitrophenyl hydrogen sulfate
Definition date:	2009-02-03
Last modified:	2021-03-01
Identifier:	4-nitrophenyl hydrogen sulfate

4O1

4O1
Name:	N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
Formula:	C25 H32 Cl N5 O5 S
SMILES:	Clc2ccc1cc(ccc1c2)S(=O)(=O)N(CC(=O)N)C3C(=O)N(CC3)C(C(=O)N4CCCN(C)CC4)C
InChi:	InChI=1S/C25H32ClN5O5S/c1-17(24(33)29-10-3-9-28(2)12-13-29)30-11-8-22(25(30)34)31(16-23(27)32)37(35,36)21-7-5-18-14-20(26)6-4-19(18)15-21/h4-7,14-15,17,22H,3,8-13,16H2,1-2H3,(H2,27,32)/t17-,22-/m0/s1
Synonyms:	GTC000401
Definition date:	2015-02-13
Last modified:	2021-03-01
Release date:	2015-09-30
Identifier:	N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide

4OA

4OA
Name:	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
Formula:	C24 H40 O3
SMILES:	O=C(O)CCC(C4C3(C(C2C(C1(CCC(O)CC1CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Synonyms:	Lithocholic acid
Definition date:	2008-12-01
Last modified:	2021-03-01
Identifier:	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid

4S7

4S7
Name:	1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
Formula:	C21 H45 N3 O3 P
SMILES:	C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)CN=[N+]=N
InChi:	InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1
Synonyms:	octadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Definition date:	2015-05-20
Last modified:	2021-03-01
Release date:	2016-05-25
Identifier:	1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium

4T4

4T4
Name:	(S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one
Formula:	C38 H47 Cl N4 O4
SMILES:	CN6CCN(C5CCC(CN(c1ccc(cc1)N3C(c2ccc(Cl)cc2)c4c(CC3=O)cc(c(c4)OC(C)C)OC)C)CC5)CC6=O
InChi:	InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1
Synonyms:	NVP-CGM097
Definition date:	2015-05-21
Last modified:	2021-03-01
Release date:	2015-07-29
Identifier:	(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one

4TD

4TD
Name:	(2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
Formula:	C17 H36 O8
SMILES:	O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:	InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1
Synonyms:	tetraerythritol propoxylate
Definition date:	2014-01-08
Last modified:	2021-03-01
Release date:	2014-04-09
Identifier:	(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name)

4WV

4WV
Name:	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappaS:2kappaS)diiron(2+)
Formula:	C7 H4 Fe2 N2 O4 S2
SMILES:	O=C1[Fe]\|2(S\|3COCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
InChi:	InChI=1S/C2H4OS2.2CN.3CO.2Fe/c4-1-3-2-5
Synonyms:	oxodithiolato-bridged [2Fe2S] cluster
Definition date:	2015-06-15
Last modified:	2021-03-01
Release date:	2015-11-11

E6R

E6R
Name:	1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
Formula:	C22 H21 F3 N2 O4 S
SMILES:	Cc1c(cn(CCO)c1c2ccccc2C(F)(F)F)C(=O)Nc3ccc(cc3)[S](C)(=O)=O
InChi:	InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
Synonyms:	esaxerenone
Definition date:	2019-11-06
Last modified:	2021-03-01
Release date:	2020-02-12
Identifier:	1-(2-hydroxyethyl)-4-methyl-~{N}-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

E7C

E7C
Name:	methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
Formula:	C24 H24 O7
SMILES:	COC(=O)[C]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=C1c3ccc(O)cc3)O
InChi:	InChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1
Synonyms:	Butyrolactone I
Definition date:	2019-11-07
Last modified:	2021-03-01
Release date:	2020-09-16
Identifier:	methyl (2~{R})-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate

EAD

EAD
Name:	{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:	C29 H36 N8 O15 P2
SMILES:	CCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C29H36N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,15,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H2,31,43)(H,44,45)(H,46,47)(H2,30,33,34)/t15-,17+,18+,21+,22+,23+,24+,28+,29+/m0/s1
Synonyms:	2-ETHYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Definition date:	2006-06-14
Last modified:	2021-03-01
Identifier:	[[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-(2-ethylpyridin-4-yl)carbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

EAL

EAL
Name:	1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE
Formula:	C18 H24 N2 O5
SMILES:	O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2
InChi:	InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
Synonyms:	ENALAPRILAT INHIBITOR
Definition date:	2004-03-11
Last modified:	2021-03-01
Identifier:	N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline

EAX

EAX
Name:	(2R,3R)-2,3,4-trihydroxybutanoic acid
Formula:	C4 H8 O5
SMILES:	O=C(O)C(O)C(O)CO
InChi:	InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1
Synonyms:	erythronic acid
Definition date:	2014-04-07
Last modified:	2021-03-01
Release date:	2014-05-07
Identifier:	(2R,3R)-2,3,4-trihydroxybutanoic acid

EB4

EB4
Name:	N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
Formula:	C30 H27 N3 O15
SMILES:	O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O)c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O
InChi:	InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1
Synonyms:	Enterobactin
Definition date:	2008-04-08
Last modified:	2021-03-01
Identifier:	N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)

ECB

ECB
Name:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Formula:	C23 H38 O4
SMILES:	CCCCCC=C/CC=C/C[C@H]=[C@H]C[C@H]=[C@H]CCCC(=O)OC(CO)CO
InChi:	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
Synonyms:	2-arachidonoylglycerol
Definition date:	2017-12-07
Last modified:	2021-03-01
Release date:	2018-12-12
Identifier:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

ECL

ECL
Name:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Formula:	C18 H15 Cl3 N2 O
SMILES:	Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
InChi:	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
Synonyms:	R-Econazole
Definition date:	2010-02-16
Last modified:	2021-03-01
Identifier:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

EDH

EDH
Name:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
Formula:	C18 H18 N4 O2
SMILES:	C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N
InChi:	InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
Synonyms:	EDHS-206
Definition date:	2017-05-17
Last modified:	2021-03-01
Release date:	2017-08-30
Identifier:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide

EDV

EDV
Name:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:	C12 H14 N2 O5
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO
InChi:	InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1
Synonyms:	(2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE
Definition date:	2014-02-12
Last modified:	2021-03-01
Release date:	2014-08-13
Identifier:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione

EE1

EE1
Name:	(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
Formula:	C26 H34 N7 O22 P3
SMILES:	NC(=O)C1=CN(C=C[CH]1[CH](CC(O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C26H34N7O22P3/c27-21-15-23(30-7-29-21)33(8-31-15)25-20(54-56(43,44)45)18(38)13(53-25)6-51-58(48,49)55-57(46,47)50-5-12-17(37)19(39)24(52-12)32-2-1-9(11(4-32)22(28)40)10(3-14(34)35)16(36)26(41)42/h1-2,4,7-10,12-13,17-20,24-25,37-39H,3,5-6H2,(H2,28,40)(H,34,35)(H,41,42)(H,46,47)(H,48,49)(H2,27,29,30)(H2,43,44,45)/t9-,10-,12+,13+,17+,18+,19+,20+,24+,25+/m0/s1
Synonyms:	NADPH with ketoglutarate adduct
Definition date:	2018-01-02
Last modified:	2021-03-01
Release date:	2018-02-07
Identifier:	(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid

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