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PDB ウェブページステータス検索化合物検索: 44101 件 BIRD

B59

B59
表記:	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
組成式:	C9 H8 N4 O4
SMILES:	O=C1N(C(=O)N(C=2NC(=O)C(=NC1=2)C=O)C)C
InChi:	InChI=1S/C9H8N4O4/c1-12-6-5(8(16)13(2)9(12)17)10-4(3-14)7(15)11-6/h3H,1-2H3,(H,11,15)
定義日:	2009-04-24
最終更新日:	2024-09-27
識別子（ID）:	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde

QNN

QNN
表記:	(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
組成式:	C8 H13 N O
SMILES:	C[CH]1N2CCC(CC2)C1=O
InChi:	InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2021-12-08
識別子（ID）:	(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one

QNQ

QNQ
表記:	4-methylcatechol cysteine
組成式:	C10 H13 N O4 S
SMILES:	Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O
InChi:	InChI=1S/C10H13NO4S/c1-5-2-3-7(12)8(13)9(5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	(2~{R})-2-azanyl-3-[6-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

B5I

B5I
表記:	2-propyl-L-norvaline
組成式:	C8 H17 N O2
SMILES:	CCCC(N)(CCC)C(=O)O
InChi:	InChI=1S/C8H17NO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)
定義日:	2022-09-21
最終更新日:	2024-09-27
公開日:	2024-09-04
識別子（ID）:	2-propyl-L-norvaline

QNT

QNT
表記:	3,6-dimethylcatechol cysteine
組成式:	C11 H15 N O4 S
SMILES:	Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O
InChi:	InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	(2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QNW

QNW
表記:	3-methylcatechol cysteine
組成式:	C10 H13 N O4 S
SMILES:	Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	(2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QNX

QNX
表記:	[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate
組成式:	C14 H22 N4 O9 P2
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O
InChi:	InChI=1S/C14H22N4O9P2/c1-9-14(19)13(10(3-16-9)6-26-28(20,21)22)5-17-12(7-27-29(23,24)25)2-11-4-15-8-18-11/h3-4,8,12,17,19H,2,5-7H2,1H3,(H,15,18)(H2,20,21,22)(H2,23,24,25)/t12-/m0/s1
定義日:	2022-11-09
最終更新日:	2024-09-27
公開日:	2023-03-22
識別子（ID）:	[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate

QNY

QNY
表記:	O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine
組成式:	C8 H16 N2 O7
SMILES:	O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C
InChi:	InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1
定義日:	2019-11-26
最終更新日:	2024-09-27
公開日:	2020-05-20
識別子（ID）:	O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine

QO2

QO2
表記:	4,5-dimethylcatechol cysteine
組成式:	C11 H15 N O4 S
SMILES:	Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C
InChi:	InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	(2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO5

QO5
表記:	3,5-dimethylcatechol cysteine
組成式:	C11 H15 N O4 S
SMILES:	Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	(2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO8

QO8
表記:	3,4-dimethylcatechol cysteine
組成式:	C11 H17 N O4 S
SMILES:	Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C
InChi:	InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1
定義日:	2020-07-08
最終更新日:	2024-09-27
公開日:	2020-12-23
識別子（ID）:	6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol

QOB

QOB
表記:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
組成式:	C26 H40 N4 O6
SMILES:	C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O
InChi:	InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1
別名:	Syrbactin inhibitor
定義日:	2020-07-09
最終更新日:	2024-09-27
公開日:	2021-05-19
識別子（ID）:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide

QOE

QOE
表記:	(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
組成式:	C24 H36 N4 O6
SMILES:	C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O
InChi:	InChI=1S/C24H36N4O6/c1-15-8-10-20(31)25-13-12-18(30)14-19(23(33)26-15)27-24(34)22(16(2)29)28-21(32)11-9-17-6-4-3-5-7-17/h3-7,15-16,18-19,22,29-30H,8-14H2,1-2H3,(H,25,31)(H,26,33)(H,27,34)(H,28,32)/t15-,16+,18-,19-,22-/m0/s1
別名:	HB335
定義日:	2020-07-09
最終更新日:	2024-09-27
公開日:	2021-05-19
識別子（ID）:	(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide

QOH

QOH
表記:	11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
組成式:	C28 H52 N4 O6
SMILES:	CC(C)CCCCCCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O
InChi:	InChI=1S/C28H52N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h19-23,26,33-34H,5-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t20-,21+,22-,23-,26-/m0/s1
別名:	Syrbactin inhibitor
定義日:	2020-07-09
最終更新日:	2024-09-27
公開日:	2021-05-19
識別子（ID）:	11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide

QOK

QOK
表記:	7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
組成式:	C11 H16 N4 O4
SMILES:	COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
InChi:	InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3
定義日:	2020-07-13
最終更新日:	2024-09-27
公開日:	2020-12-16
識別子（ID）:	7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione

QOL

QOL
表記:	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
組成式:	C14 H16 N2 O5
SMILES:	Nc1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O
InChi:	InChI=1S/C14H16N2O5/c15-10-3-1-2-9-12(21-7-8(5-17)6-18)4-11(14(19)20)16-13(9)10/h1-4,8,17-18H,5-7,15H2,(H,19,20)
定義日:	2016-06-03
最終更新日:	2024-09-27
公開日:	2017-06-21
識別子（ID）:	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carboxylic acid

B6D

B6D
表記:	2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
組成式:	C10 H18 N2 O5
SMILES:	O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:	InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
別名:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
定義日:	2008-05-01
最終更新日:	2024-09-27
識別子（ID）:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose

QON

QON
表記:	N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
組成式:	C14 H18 Cl N3 O3
SMILES:	ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3
InChi:	InChI=1S/C14H18ClN3O3/c15-8-13(19)18-5-3-10(4-6-18)16-14(20)11-7-12(21-17-11)9-1-2-9/h7,9-10H,1-6,8H2,(H,16,20)
別名:	~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
定義日:	2020-07-13
最終更新日:	2024-09-27
公開日:	2022-07-27
識別子（ID）:	~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

QP1

QP1
表記:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
組成式:	C27 H28 F N5 O3 S
SMILES:	c1c(ccc(c1)F)c4c(c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC)n4
InChi:	InChI=1S/C27H28FN5O3S/c1-4-24(34)30-20-9-10-22(36-3)21(16-20)31-23-15-18(11-12-29-23)26-25(17-5-7-19(28)8-6-17)32-27(33-26)37-14-13-35-2/h5-12,15-16H,4,13-14H2,1-3H3,(H,29,31)(H,30,34)(H,32,33)
定義日:	2019-12-05
最終更新日:	2024-09-27
公開日:	2020-04-22
識別子（ID）:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide

B6Y

B6Y
表記:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:	C26 H46 N4 O10 S
SMILES:	C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC
InChi:	InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1
別名:	bound form
定義日:	2017-08-02
最終更新日:	2024-09-27
公開日:	2018-04-04
識別子（ID）:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

QPA

QPA
表記:	S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine
組成式:	C6 H12 N O8 P S
SMILES:	O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C
InChi:	InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1
定義日:	2011-07-12
最終更新日:	2024-09-27
識別子（ID）:	S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine

QPB

QPB
表記:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
組成式:	C11 H12 O3
SMILES:	COC(=O)C(C)=Cc1ccc(O)cc1
InChi:	InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7-
定義日:	2020-07-16
最終更新日:	2024-09-27
公開日:	2021-07-28
識別子（ID）:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate

B74

B74
表記:	(3-methylphenyl)methanol
組成式:	C8 H10 O
SMILES:	C(O)c1cc(ccc1)C
InChi:	InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
定義日:	2017-08-02
最終更新日:	2024-09-27
公開日:	2017-10-04
識別子（ID）:	(3-methylphenyl)methanol

QPE

QPE
表記:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
組成式:	C11 H12 O2
SMILES:	COC(=O)C(C)=Cc1ccccc1
InChi:	InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
定義日:	2020-07-16
最終更新日:	2024-09-27
公開日:	2021-07-28
識別子（ID）:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate

QPH

QPH
表記:	N-formyl-L-phenylalanine
組成式:	C10 H11 N O3
SMILES:	O=C(O)C(NC=O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
定義日:	2011-04-28
最終更新日:	2024-09-27
識別子（ID）:	N-formyl-L-phenylalanine

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