Chemie Search results for query - 日本蛋白質結構資料庫

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 35294 results BIRD

O6D

O6D
Name:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
Formula:	C28 H27 N3 O4
SMILES:	c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C
InChi:	InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1
Definition date:	2019-06-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid

HAY

HAY
Name:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H26 N2 O6 S
SMILES:	c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(=O)NO)(C)S(C)(=O)=O)C(C=3)=O
InChi:	InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m1/s1
Definition date:	2018-06-21
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

KQE

KQE
Name:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
Formula:	C18 H11 F3 N4 O
SMILES:	FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4
InChi:	InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine

KQK

KQK
Name:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C12 H12 N6
SMILES:	CN(C)c1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQW

KQW
Name:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C14 H14 N6
SMILES:	CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KQZ

KQZ
Name:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Formula:	C13 H13 N5
SMILES:	CN(C)c1nccc(n1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

KR8

KR8
Name:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C17 H14 N6
SMILES:	CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
Definition date:	2019-06-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

KRK

KRK
Name:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
Formula:	C14 H13 F N6
SMILES:	F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34
InChi:	InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

KRQ

KRQ
Name:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C11 H10 N6
SMILES:	CNc1nccc(n1)c2cnn3ncccc23
InChi:	InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)
Definition date:	2019-06-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

LJP

LJP
Name:	N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
Formula:	C16 H20 N4 O3 S
SMILES:	CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C
InChi:	InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
Definition date:	2019-02-22
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide

LJV

LJV
Name:	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
Formula:	C17 H13 Cl N4 O
SMILES:	Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N
InChi:	InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23)
Definition date:	2019-02-27
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile

LJY

LJY
Name:	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
Formula:	C18 H14 Cl N3 O2
SMILES:	COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N
InChi:	InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
Definition date:	2019-02-27
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile

LM7

LM7
Name:	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Formula:	C14 H9 N3 O5
SMILES:	O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O
InChi:	InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)
Definition date:	2019-03-04
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione

M1J

M1J
Name:	4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine
Formula:	C18 H23 F2 N7 O2
SMILES:	c1(c(cc(N)nc1)C(F)F)c3nc(nc(N2CCOCC2C)n3)N4CCOCC4
InChi:	InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1
Definition date:	2019-03-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine

HOW

HOW
Name:	1,2-oxazol-3-amine
Formula:	C3 H4 N2 O
SMILES:	Nc1ccon1
InChi:	InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
Definition date:	2018-12-14
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1,2-oxazol-3-amine

HRZ

HRZ
Name:	1~{H}-pyridin-2-one
Formula:	C5 H5 N O
SMILES:	O=C1NC=CC=C1
InChi:	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Definition date:	2018-12-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1~{H}-pyridin-2-one

HT8

HT8
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C18 H18 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
Definition date:	2018-12-18
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HTE

HTE
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C14 H16 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HTW

HTW
Name:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
Formula:	C18 H18 N2 O6
SMILES:	OC[CH]1O[C]2(N=C(NC2=O)c3cccc4ccccc34)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one

HUM

HUM
Name:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H25 F N2 O6 S
SMILES:	C3(C=C(c1ccc(cc1F)OCc2ccccc2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

HVB

HVB
Name:	1-azanylpropylideneazanium
Formula:	C3 H9 N2
SMILES:	CCC(N)=[NH2+]
InChi:	InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1
Definition date:	2018-12-19
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	1-azanylpropylideneazanium

HVK

HVK
Name:	pyridin-2-amine
Formula:	C5 H6 N2
SMILES:	Nc1ccccn1
InChi:	InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
Definition date:	2018-12-20
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	pyridin-2-amine

J1M

J1M
Name:	(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C24 H26 N2 O6 S
SMILES:	c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(NO)=O)(C)S(C)(=O)=O)C(C=3)=O
InChi:	InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m0/s1
Definition date:	2018-08-03
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

C06

C06
Name:	[[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C16 H25 N5 O15 P2
SMILES:	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11+,14-,15+/m1/s1
Definition date:	2019-04-02
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R},6~{R})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

CV2

CV2
Name:	(S)-(1-amino-2phenylallyl)phosphonic acid
Formula:	C9 H12 N O3 P
SMILES:	N[CH](C(=C)c1ccccc1)[P](O)(O)=O
InChi:	InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1
Definition date:	2017-12-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[(1~{S})-1-azanyl-2-phenyl-prop-2-enyl]phosphonic acid

<751 752 753 754 755 756 757758759 760 761 762 763 764 765 766 >

223166

數據於2024-07-31公開中

PDB statistics

PDBj update info

Contact PDBj

numon