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: 39836 件 BIRD

EGU

EGU
表記:	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
組成式:	C21 H16 Cl2 F N3 O4 S
SMILES:	COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O
InChi:	InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30)
定義日:	2019-12-20
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid

EJ6

EJ6
表記:	5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
組成式:	C22 H24 Cl F N4 O5 S
SMILES:	C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C
InChi:	InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1
定義日:	2019-12-27
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide

EY0

EY0
表記:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
組成式:	C21 H24 F3 N5 O5 S
SMILES:	CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4
InChi:	InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1
定義日:	2020-02-18
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione

QFN

QFN
表記:	(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
組成式:	C22 H21 Cl N4 O2
SMILES:	CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O
InChi:	InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1
定義日:	2020-06-15
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-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:	2020-12-18
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

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:	2020-12-18
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:	2020-12-18
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

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:	2020-12-18
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:	2020-12-18
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:	2020-12-18
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

QRM

QRM
表記:	3-aminocyclohexa-1,3-diene-1-carboxylic acid
組成式:	C7 H9 N O2
SMILES:	C(=O)(O)C=1CCC=C(C=1)N
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10)
定義日:	2019-12-11
最終更新日:	2020-12-18
公開日:	2020-12-16
識別子（ID）:	3-aminocyclohexa-1,3-diene-1-carboxylic acid

QU7

QU7
表記:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
組成式:	C28 H34 O
SMILES:	C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC
InChi:	InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1
別名:	SS-RJW100
定義日:	2019-12-20
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol

ODG

ODG
表記:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
組成式:	C20 H21 N5 O
SMILES:	c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N
InChi:	InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2
定義日:	2019-06-20
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

Q6E

Q6E
表記:	(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
組成式:	C22 H28 Cl N5 O2
SMILES:	CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34
InChi:	InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1
定義日:	2020-05-22
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide

RXN

RXN
表記:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
組成式:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
別名:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
定義日:	2020-10-31
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

SBQ

SBQ
表記:	methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
組成式:	C20 H21 Cl O8
SMILES:	COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(Cl)c2
InChi:	InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
定義日:	2020-11-13
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate

DJM

DJM
表記:	2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
組成式:	C13 H15 N3 O2 S
SMILES:	Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO
InChi:	InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17)
定義日:	2017-10-27
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide

SYZ

SYZ
表記:	N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
組成式:	C13 H14 N2 O3 S
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:	InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
別名:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
定義日:	2020-12-08
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide

SZB

SZB
表記:	succinimide
組成式:	C4 H3 N O2
SMILES:	O=C1NC(=O)C=C1
InChi:	InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
別名:	pyrrolidine-2,5-dione
定義日:	2020-12-08
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	pyrrole-2,5-dione

SZN

SZN
表記:	N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
組成式:	C14 H16 N2 O3
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
InChi:	InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
別名:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide
定義日:	2020-12-08
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide

U8M

U8M
表記:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
組成式:	C11 H9 F2 N5
SMILES:	n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N
InChi:	InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)
定義日:	2020-05-04
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

UZD

UZD
表記:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
組成式:	C15 H29 N O7
SMILES:	O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
InChi:	InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
定義日:	2020-06-08
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside

VC7

VC7
表記:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
組成式:	C11 H16 N5 O7 P
SMILES:	C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O
InChi:	InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
定義日:	2020-07-27
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine

VHJ

VHJ
表記:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
組成式:	C29 H38 N4 O6
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)C)=O
InChi:	InChI=1S/C29H38N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:	2020-08-12
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

VHM

VHM
表記:	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:	C29 H44 N4 O6
SMILES:	c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)CC3CCCCC3)=O
InChi:	InChI=1S/C29H44N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,19-20,22-25,34H,3,5-6,9-10,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:	2020-08-12
最終更新日:	2020-12-18
公開日:	2020-12-23
識別子（ID）:	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

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