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: 40291 results BIRD

CZT

CZT
Name:	(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol
Formula:	C22 H34 N2 O5
SMILES:	COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3
InChi:	InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol

D08

D08
Name:	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide
Formula:	C21 H30 N2 O6
SMILES:	COc1ccc(cc1OC2CCCC2)C3=NO[CH](CC(=O)N(CCO)CCO)C3
InChi:	InChI=1S/C21H30N2O6/c1-27-19-7-6-15(12-20(19)28-16-4-2-3-5-16)18-13-17(29-22-18)14-21(26)23(8-10-24)9-11-25/h6-7,12,16-17,24-25H,2-5,8-11,13-14H2,1H3/t17-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide

D0B

D0B
Name:	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one
Formula:	C24 H33 N3 O4
SMILES:	COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[CH](C)O[CH](C)C4)n3
InChi:	InChI=1S/C24H33N3O4/c1-17-15-26(16-18(2)30-17)24(28)11-13-27-12-10-21(25-27)19-8-9-22(29-3)23(14-19)31-20-6-4-5-7-20/h8-10,12,14,17-18,20H,4-7,11,13,15-16H2,1-3H3/t17-,18-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one

D5N

D5N
Name:	(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H29 F2 N3 O4
SMILES:	O[CH](CN1CCOCC1)Cn2nccc2c3ccc(OC(F)F)c(OC4CCCC4)c3
InChi:	InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-25-27(19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m0/s1
Definition date:	2017-12-22
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

DD5

DD5
Name:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H29 F2 N3 O4
SMILES:	O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3
InChi:	InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1
Definition date:	2018-01-11
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

DZT

DZT
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
Formula:	C30 H46 O3
SMILES:	CCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C30H46O3/c1-5-6-7-10-15-25(17-18-26-21-28(31)22-29(32)23(26)2)27-16-12-14-24(20-27)13-9-8-11-19-30(3,4)33/h12,14,16-18,20,28-29,31-33H,2,5-11,13,15,19,21-22H2,1,3-4H3/b25-17+,26-18-/t28-,29+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol

DZW

DZW
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
Formula:	C31 H48 O3
SMILES:	CCCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C31H48O3/c1-5-6-7-8-11-16-26(18-19-27-22-29(32)23-30(33)24(27)2)28-17-13-15-25(21-28)14-10-9-12-20-31(3,4)34/h13,15,17-19,21,29-30,32-34H,2,5-12,14,16,20,22-23H2,1,3-4H3/b26-18+,27-19-/t29-,30+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol

E05

E05
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
Formula:	C26 H38 O3
SMILES:	CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1
Definition date:	2018-02-07
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol

E0E

E0E
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
Formula:	C27 H40 O3
SMILES:	CCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C27H40O3/c1-5-10-22(14-15-23-18-25(28)19-26(29)20(23)2)24-13-9-12-21(17-24)11-7-6-8-16-27(3,4)30/h9,12-15,17,25-26,28-30H,2,5-8,10-11,16,18-19H2,1,3-4H3/b22-14+,23-15-/t25-,26+/m1/s1
Definition date:	2018-02-08
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol

E6W

E6W
Name:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:	C16 H9 Br N2 O
SMILES:	Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
InChi:	InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H
Definition date:	2018-02-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

FZJ

FZJ
Name:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
Formula:	C13 H13 N5 O2
SMILES:	c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C
InChi:	InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16)
Definition date:	2018-04-30
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

F4A

F4A
Name:	4-[(9H-purin-6-yl)amino]benzamide
Formula:	C12 H10 N6 O
SMILES:	O=C(N)c1ccc(cc1)Nc2ncnc3c2ncn3
InChi:	InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	4-[(9H-purin-6-yl)amino]benzamide

F4G

F4G
Name:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
Formula:	C13 H10 N4 O
SMILES:	O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
InChi:	InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

F4J

F4J
Name:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one
Formula:	C13 H8 N6 O
SMILES:	O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3
InChi:	InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one

F67

F67
Name:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one
Formula:	C13 H12 N4 O
SMILES:	O=C1c2c(C(N1)C)cc(cc2)Nc3ccncn3
InChi:	InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)/t8-/m1/s1
Definition date:	2018-03-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one

8FY

8FY
Name:	N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:	C21 H18 N8
SMILES:	c2(c1c(cnc1nc(NC)n2)c4ccc3ncccc3c4)NCc5ncccn5
InChi:	InChI=1S/C21H18N8/c1-22-21-28-19-18(20(29-21)27-12-17-24-8-3-9-25-17)15(11-26-19)13-5-6-16-14(10-13)4-2-7-23-16/h2-11H,12H2,1H3,(H3,22,26,27,28,29)
Definition date:	2017-02-03
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

9GH

9GH
Name:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
Formula:	C16 H16 I N3 O3 S
SMILES:	CCN(CC)c1sc2c(n1)c(C(O)=O)c(O)c(I)c2n3cccc3
InChi:	InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid

9GK

9GK
Name:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
Formula:	C19 H16 I N O4
SMILES:	OC(=O)c1cc(OCCc2ccccc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C19H16INO4/c20-16-17(21-9-4-5-10-21)15(12-14(18(16)22)19(23)24)25-11-8-13-6-2-1-3-7-13/h1-7,9-10,12,22H,8,11H2,(H,23,24)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid

9GN

9GN
Name:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O3 S
SMILES:	CCCSc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO3S/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid

9GQ

9GQ
Name:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C15 H16 I N O4
SMILES:	CCCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C15H16INO4/c1-2-3-8-21-11-9-10(15(19)20)14(18)12(16)13(11)17-6-4-5-7-17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9GT

9GT
Name:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H12 I N O4
SMILES:	OC(=O)c1cc(OCC=C)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C14H12INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h2-6,8,17H,1,7H2,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid

9GW

9GW
Name:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O4
SMILES:	CCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid

9GZ

9GZ
Name:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C17 H11 F I N O3
SMILES:	OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9H2

9H2
Name:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
Formula:	C11 H9 I2 N O2
SMILES:	OCc1cc(I)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

9H5

9H5
Name:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
Formula:	C16 H17 I2 N3 O2
SMILES:	CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O
InChi:	InChI=1S/C16H17I2N3O2/c1-19-6-8-21(9-7-19)16(23)11-10-12(17)14(13(18)15(11)22)20-4-2-3-5-20/h2-5,10,22H,6-9H2,1H3
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone

<965 966 967 968 969 970 971972973 974 975 976 977 978 979 980 >

226707

數據於2024-10-30公開中

PDB statistics

PDBj update info

Contact PDBj

numon