Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 44145 件 BIRD

IIS

IIS
表記:	4-iodanylpyridin-2-amine
組成式:	C5 H5 I N2
SMILES:	Nc1cc(I)ccn1
InChi:	InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-iodanylpyridin-2-amine

IIV

IIV
表記:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
組成式:	C9 H12 Br N3 O3
SMILES:	CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide

IIY

IIY
表記:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide
組成式:	C7 H10 N2 O2
SMILES:	CC(=O)NCC(=O)N=CC=C
InChi:	InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide

IJ3

IJ3
表記:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
組成式:	C10 H19 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCCCBr
InChi:	InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide

IJF

IJF
表記:	(4-bromanylpyridin-2-yl)methanol
組成式:	C6 H6 Br N O
SMILES:	OCc1cc(Br)ccn1
InChi:	InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(4-bromanylpyridin-2-yl)methanol

IJI

IJI
表記:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
組成式:	C11 H19 N5 O2
SMILES:	CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:	InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide

IJL

IJL
表記:	4-iodanylbenzamide
組成式:	C7 H6 I N O
SMILES:	NC(=O)c1ccc(I)cc1
InChi:	InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-iodanylbenzamide

IJO

IJO
表記:	4-bromanyl-2-methoxy-pyridine
組成式:	C6 H6 Br N O
SMILES:	COc1cc(Br)ccn1
InChi:	InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-bromanyl-2-methoxy-pyridine

IJR

IJR
表記:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
組成式:	C8 H11 Br N2 O2
SMILES:	C[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide

IJU

IJU
表記:	4-bromanyl-2-(methoxymethyl)pyridine
組成式:	C7 H8 Br N O
SMILES:	COCc1cc(Br)ccn1
InChi:	InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-bromanyl-2-(methoxymethyl)pyridine

IJX

IJX
表記:	~{N}-(4-bromophenyl)ethanamide
組成式:	C8 H8 Br N O
SMILES:	CC(=O)Nc1ccc(Br)cc1
InChi:	InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	~{N}-(4-bromophenyl)ethanamide

IK3

IK3
表記:	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
組成式:	C14 H18 N2 O3
SMILES:	CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:	InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
定義日:	2022-03-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide

IS0

IS0
表記:	4-bromanyl-1,2-dimethoxy-benzene
組成式:	C8 H9 Br O2
SMILES:	COc1ccc(Br)cc1OC
InChi:	InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
定義日:	2022-04-11
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-bromanyl-1,2-dimethoxy-benzene

IS6

IS6
表記:	(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
組成式:	C10 H13 Br N2 O2
SMILES:	CC(=O)N1CCC[CH]1C(=O)NCC#CBr
InChi:	InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1
定義日:	2022-04-12
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide

ISK

ISK
表記:	2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide
組成式:	C7 H9 Br N2 O2
SMILES:	CC(=O)NCC(=O)NCC#CBr
InChi:	InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
定義日:	2022-04-11
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide

IT4

IT4
表記:	4-bromanyl-2-oxidanyl-benzoic acid
組成式:	C7 H5 Br O3
SMILES:	OC(=O)c1ccc(Br)cc1O
InChi:	InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
定義日:	2022-04-11
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	4-bromanyl-2-oxidanyl-benzoic acid

IT8

IT8
表記:	(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
組成式:	C10 H15 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
定義日:	2022-04-12
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide

IV1

IV1
表記:	(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
組成式:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1
InChi:	InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1
定義日:	2022-04-13
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol

IV5

IV5
表記:	(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
組成式:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C
InChi:	InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1
定義日:	2022-04-13
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol

7RF

7RF
表記:	(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
組成式:	C19 H17 N5 O2
SMILES:	NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
InChi:	InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
定義日:	2021-10-14
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate

875

875
表記:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
組成式:	C15 H26 N6 O13 P2
SMILES:	NC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
定義日:	2021-11-26
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

8IY

8IY
表記:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
組成式:	C32 H37 F N4 O5
SMILES:	CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:	InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1
定義日:	2021-10-22
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

8PN

8PN
表記:	(2S)-but-3-yn-2-amine
組成式:	C4 H7 N
SMILES:	C[CH](N)C#C
InChi:	InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1
別名:	2-Aminobutin
定義日:	2021-10-28
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(2~{S})-but-3-yn-2-amine

9IR

9IR
表記:	(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
組成式:	C10 H16
SMILES:	CC1=CCC(CC1)C(C)=C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
別名:	R-(+)-limonene
定義日:	2021-10-18
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

9IU

9IU
表記:	(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
組成式:	C10 H16
SMILES:	CC1=CCC(CC1)C(C)=C
InChi:	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
別名:	S-(-)-limonene
定義日:	2021-10-18
最終更新日:	2022-11-18
公開日:	2022-11-23
識別子（ID）:	(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

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