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IUD

IUD
Name:	Paltusotine
Formula:	C27 H22 F2 N4 O
SMILES:	NC1CCN(CC1)c2c(cnc3ccc(cc23)c4cccc(C#N)c4O)c5cc(F)cc(F)c5
InChi:	InChI=1S/C27H22F2N4O/c28-19-10-18(11-20(29)13-19)24-15-32-25-5-4-16(22-3-1-2-17(14-30)27(22)34)12-23(25)26(24)33-8-6-21(31)7-9-33/h1-5,10-13,15,21,34H,6-9,31H2
Synonyms:	3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile
Definition date:	2022-07-14
Last modified:	2023-09-15
Release date:	2023-04-19
Identifier:	3-[4-(4-azanylpiperidin-1-yl)-3-[3,5-bis(fluoranyl)phenyl]quinolin-6-yl]-2-oxidanyl-benzenecarbonitrile

IVB

IVB
Name:	nalfurafine
Formula:	C28 H32 N2 O5
SMILES:	CN([CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45)C(=O)C=Cc7cocc7
InChi:	InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
Synonyms:	~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide
Definition date:	2022-07-19
Last modified:	2023-09-15
Release date:	2023-04-12
Identifier:	(~{E})-~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-prop-2-enamide

WKZ

WKZ
Name:	(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide
Formula:	C27 H25 N5 O3 S
SMILES:	O=C1SCCN1C(=O)CCc1ccc(c2ccc(cc2)n2ccnc2)n1c1ccc(cc1C)C(N)=O
InChi:	InChI=1S/C27H25N5O3S/c1-18-16-20(26(28)34)4-9-23(18)32-22(8-11-25(33)31-14-15-36-27(31)35)7-10-24(32)19-2-5-21(6-3-19)30-13-12-29-17-30/h2-7,9-10,12-13,16-17H,8,11,14-15H2,1H3,(H2,28,34)
Definition date:	2022-09-22
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide

X7C

X7C
Name:	5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine
Formula:	C12 H5 Cl F2 N2 S
SMILES:	Fc1cccc(F)c1c2nc3ncsc3cc2Cl
InChi:	InChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H
Definition date:	2023-06-05
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine

XE6

XE6
Name:	4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
Formula:	C10 H16 N3 O8 P
SMILES:	O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(OC)C1O
InChi:	InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1
Definition date:	2022-11-14
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one

362

362
Name:	2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:	C14 H10 N6
SMILES:	n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
InChi:	InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
Definition date:	2014-06-25
Last modified:	2023-09-14
Release date:	2015-09-23
Identifier:	2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

AP0

AP0
Name:	ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED
Formula:	C22 H30 N6 O14 P2
SMILES:	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=C(CC=C3)C(C)=O)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
Definition date:	2005-08-09
Last modified:	2023-09-13
Identifier:	[(2R,3S,4R,5R)-5-(3-acetylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

84K

84K
Name:	Carfentanil
Formula:	C24 H30 N2 O3
SMILES:	O=C(OC)C1(CCN(CCc2ccccc2)CC1)N(c1ccccc1)C(=O)CC
InChi:	InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
Synonyms:	methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
Definition date:	2023-07-12
Last modified:	2023-09-13
Release date:	2023-08-16
Identifier:	methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate

JG5

JG5
Name:	Somapacitan
Formula:	C51 H89 N11 O19 S
SMILES:	CC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C51H89N11O19S/c1-38(63)52-26-16-15-18-39(49(70)71)56-47(68)36-80-33-32-79-30-28-54-44(65)24-22-40(50(72)73)55-45(66)25-23-41(51(74)75)57-48(69)37-81-34-31-78-29-27-53-43(64)21-17-35-82(76,77)60-46(67)20-14-12-10-8-6-4-2-3-5-7-9-11-13-19-42-58-61-62-59-42/h39-41H,2-37H2,1H3,(H,52,63)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,69)(H,60,67)(H,70,71)(H,72,73)(H,74,75)(H,58,59,61,62)/t39-,40+,41-/m0/s1
Synonyms:	(2S)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(1H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
Definition date:	2019-02-20
Last modified:	2023-09-13
Release date:	2020-02-05
Identifier:	(2~{S})-6-acetamido-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid

IUN

IUN
Name:	LCL-161
Formula:	C26 H33 F N4 O3 S
SMILES:	CC(NC)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1c1nc(cs1)C(=O)c1ccc(F)cc1
InChi:	InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1
Synonyms:	N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide
Definition date:	2022-01-31
Last modified:	2023-09-13
Release date:	2023-08-02
Identifier:	N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl]-N~2~-methyl-L-alaninamide

Y4B

Y4B
Name:	allopregnanolone
Formula:	C21 H34 O2
SMILES:	CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChi:	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
Synonyms:	3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one
Definition date:	2023-01-03
Last modified:	2023-09-09
Release date:	2023-08-30
Identifier:	3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one

ZJK

ZJK
Name:	1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
Formula:	C27 H27 N4 O3 Ru2
SMILES:	O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
InChi:	InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-27
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

ZJO

ZJO
Name:	1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
Formula:	C26 H25 N4 O Ru2
SMILES:	O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
InChi:	InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-27
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane

YWV

YWV
Name:	[Ru2(DPhF)(Formate)]
Formula:	C14 H14 N2 O2 Ru2
SMILES:	C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-22
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane

ZQ2

ZQ2
Name:	[Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)
Formula:	C15 H16 N2 O2 Ru2
SMILES:	CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C13H12N2.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Synonyms:	3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane
Definition date:	2023-06-29
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane

ZWH

ZWH
Name:	[Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2]
Formula:	C23 H28 N2 O10 Ru2
SMILES:	C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-07-06
Last modified:	2023-09-08
Release date:	2023-09-13

ZWL

ZWL
Name:	[Ru2(DPhF)(Formate)(CO3)]
Formula:	C15 H14 N2 O5 Ru2
SMILES:	O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-07-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	9,11-diphenyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-3-one

ZWN

ZWN
Name:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Formula:	C27 H32 O14
SMILES:	Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
InChi:	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Synonyms:	Naringin
Definition date:	2023-04-13
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

ZWO

ZWO
Name:	Ru2(DPhF)(CO3)3
Formula:	C16 H12 N2 O9 Ru2
SMILES:	O=C1O[Ru]23OC(=O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C13H12N2.3CH2O3.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-07-07
Last modified:	2023-09-08
Release date:	2023-09-13

ZXE

ZXE
Name:	Ru2(DPhF)(CO3)2(Formate)
Formula:	C16 H14 N2 O8 Ru2
SMILES:	O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-07-07
Last modified:	2023-09-08
Release date:	2023-09-13

KZO

KZO
Name:	Astragaloside IV
Formula:	C41 H68 O14
SMILES:	CC(C)(O)[CH]1CC[C](C)(O1)[CH]2[CH](O)C[C]3(C)[CH]4C[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]6C(C)(C)[CH](CC[C]67C[C]47CC[C]23C)O[CH]8OC[CH](O)[CH](O)[CH]8O
InChi:	InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34-,37-,38+,39-,40+,41-/m1/s1
Definition date:	2022-11-01
Last modified:	2023-09-08
Release date:	2023-09-13

L3N

L3N
Name:	1~{H}-quinazoline-2,4-dione
Formula:	C8 H6 N2 O2
SMILES:	O=C1NC(=O)c2ccccc2N1
InChi:	InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
Definition date:	2022-06-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1~{H}-quinazoline-2,4-dione

MJ3

MJ3
Name:	(2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid
Formula:	C19 H28 N4 O18 P2
SMILES:	O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O
InChi:	InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1
Synonyms:	UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid
Definition date:	2023-05-25
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2S,3S,4R,5S,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name)

MJL

MJL
Name:	(2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid
Formula:	C19 H28 N4 O18 P2
SMILES:	O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O
InChi:	InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1
Synonyms:	UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate
Definition date:	2023-05-26
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2S,3S,4R,5R,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name)

0JS

0JS
Name:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
Formula:	C23 H30 Br N5 O2
SMILES:	CCCCN(CC1CC1)c2nc(C)nc3n2nc(C)c3c4c(OC)cc(Br)cc4OC
InChi:	InChI=1S/C23H30BrN5O2/c1-6-7-10-28(13-16-8-9-16)23-26-15(3)25-22-20(14(2)27-29(22)23)21-18(30-4)11-17(24)12-19(21)31-5/h11-12,16H,6-10,13H2,1-5H3
Definition date:	2021-06-10
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

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數據於2024-07-24公開中

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