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PDB ウェブページステータス検索化合物検索: 43993 件 BIRD

KX9

KX9
表記:	(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
組成式:	C17 H15 Cl N4 O
SMILES:	Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1
InChi:	InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide

KXF

KXF
表記:	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:	C14 H14 N2 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(O)c1
InChi:	InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18)
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

KXR

KXR
表記:	N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
組成式:	C15 H13 F N4 O3
SMILES:	Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChi:	InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/m0/s1
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide

KXV

KXV
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac etic acid
組成式:	C15 H17 N3 O5 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)OC)O
InChi:	InChI=1S/C15H17N3O5S/c1-23-12-5-8(2-3-11(12)19)4-10-15(22)18(6-13(20)21)14(17-10)9(16)7-24/h2-5,9,19,24H,6-7,16H2,1H3,(H,20,21)/b10-4-/t9-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)-3-OMeY
定義日:	2019-01-23
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KY0

KY0
表記:	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
組成式:	C16 H15 Cl N2 O
SMILES:	O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1
InChi:	InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20)
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide

KY4

KY4
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C14 H13 F2 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O
InChi:	InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)-2,3-F
定義日:	2019-01-23
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KY7

KY7
表記:	{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C14 H14 N4 O6 S
SMILES:	NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-]
InChi:	InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)-3-NO2
定義日:	2019-01-23
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KYC

KYC
表記:	(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide
組成式:	C16 H18 Cl N3 O
SMILES:	O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C
InChi:	InChI=1S/C16H18ClN3O/c1-11-7-8-18-10-14(11)19-16(21)15(20(2)3)12-5-4-6-13(17)9-12/h4-10,15H,1-3H3,(H,19,21)/t15-/m0/s1
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide

KYN

KYN
表記:	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
組成式:	C10 H12 N2 O3
SMILES:	O=C(c1ccccc1N)CC(C(=O)O)N
InChi:	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
別名:	L-KYNURENINE
定義日:	2004-05-16
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid

KYQ

KYQ
表記:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
組成式:	C9 H16 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:	InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
定義日:	2008-04-04
最終更新日:	2023-11-03
識別子（ID）:	(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine

KYU

KYU
表記:	2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide
組成式:	C14 H11 Cl F2 N2 O
SMILES:	O=C(Nc1cnccc1C)C(F)(F)c1cccc(Cl)c1
InChi:	InChI=1S/C14H11ClF2N2O/c1-9-5-6-18-8-12(9)19-13(20)14(16,17)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,19,20)
定義日:	2023-08-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide

KZ1

KZ1
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C14 H12 F3 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2c(c(c(c(c2)F)O)F)F
InChi:	InChI=1S/C14H12F3N3O4S/c15-6-1-5(10(16)11(17)12(6)23)2-8-14(24)20(3-9(21)22)13(19-8)7(18)4-25/h1-2,7,23,25H,3-4,18H2,(H,21,22)/b8-2-/t7-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)
定義日:	2019-01-25
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZ4

KZ4
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C14 H14 Br N3 O4 S
SMILES:	NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(cc2)O)Br)CC(=O)O
InChi:	InChI=1S/C14H14BrN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)3-Br
定義日:	2019-01-25
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZ7

KZ7
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C14 H14 Cl N3 O4 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O
InChi:	InChI=1S/C14H14ClN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)3-Cl
定義日:	2019-01-25
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZC

KZC
表記:	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:	C18 H17 N3 O2
SMILES:	O=C(NCCNc1ccccc1)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C18H17N3O2/c22-17-12-15(14-8-4-5-9-16(14)21-17)18(23)20-11-10-19-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2,(H,20,23)(H,21,22)
定義日:	2023-08-15
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

KZG

KZG
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
組成式:	C14 H14 I N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:	InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)3-I
定義日:	2019-01-28
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

JQ0

JQ0
表記:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate
組成式:	C15 H24 N2 O3
SMILES:	COC(=O)CN1[CH](CC(C)C)C=C[CH]2CCN[CH]2C1=O
InChi:	InChI=1S/C15H24N2O3/c1-10(2)8-12-5-4-11-6-7-16-14(11)15(19)17(12)9-13(18)20-3/h4-5,10-12,14,16H,6-9H2,1-3H3/t11-,12-,14-/m0/s1
定義日:	2023-08-08
最終更新日:	2023-11-03
公開日:	2023-08-16
識別子（ID）:	methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoate

7BB

7BB
表記:	trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
組成式:	C15 H24 N2 O6 S
SMILES:	O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O
InChi:	InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11-
定義日:	2012-01-04
最終更新日:	2023-11-03
識別子（ID）:	trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid

KZV

KZV
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
組成式:	C14 H14 F N3 O4 S
SMILES:	NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:	InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)-3F
定義日:	2019-01-28
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KZX

KZX
表記:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:	C14 H13 F N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(F)c1
InChi:	InChI=1S/C14H13FN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
定義日:	2023-08-15
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide

KZY

KZY
表記:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:	C15 H17 N3 O4 S
SMILES:	NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:	InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
別名:	CHROMOPHORE (CYS-TYR-GLY)3-CH3
定義日:	2019-01-28
最終更新日:	2023-11-03
公開日:	2019-06-12
識別子（ID）:	{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

7C9

7C9
表記:	O-methyl-L-serine
組成式:	C4 H9 N O3
SMILES:	O(CC(N)C(=O)O)C
InChi:	InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:	2016-10-03
最終更新日:	2023-11-03
公開日:	2017-01-11
識別子（ID）:	O-methyl-L-serine

7CC

7CC
表記:	N,N-diethyl-L-asparagine
組成式:	C8 H16 N2 O3
SMILES:	O=C(O)C(CC(N(CC)CC)=O)N
InChi:	InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1
定義日:	2016-10-03
最終更新日:	2023-11-03
公開日:	2017-01-11
識別子（ID）:	N,N-diethyl-L-asparagine

L1F

L1F
表記:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
定義日:	2023-08-15
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

L2I

L2I
表記:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
組成式:	C16 H19 N3 O
SMILES:	O=C(Nc1cccnc1)C(CCNC)c1ccccc1
InChi:	InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1
定義日:	2023-08-15
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide

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