Chemie Search results for query - 日本蛋白质结构数据库

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: 39836 results BIRD

P2J

P2J
Name:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
Formula:	C19 H31 N7 O5
SMILES:	c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2
InChi:	InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1
Definition date:	2019-07-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine

DO6

DO6
Name:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H20 O7
SMILES:	COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
InChi:	InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
Definition date:	2019-08-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

QB7

QB7
Name:	4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
Formula:	C29 H27 F O10 S2
SMILES:	O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4F)OC
InChi:	InChI=1S/C29H27FO10S2/c1-37-19-10-15-11-24(17(31)4-6-26(33)34)41-22(15)13-20(19)39-8-3-9-40-29-21(38-2)14-23-16(28(29)30)12-25(42-23)18(32)5-7-27(35)36/h10-14H,3-9H2,1-2H3,(H,33,34)(H,35,36)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid

QBA

QBA
Name:	4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
Formula:	C29 H28 O10 S2
SMILES:	O=C(O)CCC(=O)c1cc2c(s1)cc(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O)=O)c4)OC
InChi:	InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)40-24(16)14-22(20)38-8-3-9-39-23-15-25-17(11-21(23)37-2)13-27(41-25)19(31)5-7-29(34)35/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)

QBD

QBD
Name:	4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
Formula:	C29 H28 O8 S2
SMILES:	OC(CCC(=O)c1sc2c(c1)cc(c(c2)CCCc4c3cc(C(CCC(=O)O)=O)sc3cc(c4)OC)OC)=O
InChi:	InChI=1S/C29H28O8S2/c1-36-19-10-16(20-15-27(39-25(20)14-19)22(31)7-9-29(34)35)4-3-5-17-12-24-18(11-23(17)37-2)13-26(38-24)21(30)6-8-28(32)33/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid

QBG

QBG
Name:	4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
Formula:	C28 H25 F O10 S2
SMILES:	OC(=O)CCC(=O)c1sc2c(c1)cc(c(c2)OC)OCCOc4c(F)c3cc(C(=O)CCC(=O)O)sc3cc4OC
InChi:	InChI=1S/C28H25FO10S2/c1-36-18-12-21-14(10-23(40-21)16(30)3-5-25(32)33)9-19(18)38-7-8-39-28-20(37-2)13-22-15(27(28)29)11-24(41-22)17(31)4-6-26(34)35/h9-13H,3-8H2,1-2H3,(H,32,33)(H,34,35)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid

QBJ

QBJ
Name:	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid
Formula:	C29 H26 O9 S2
SMILES:	OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O
InChi:	InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3-
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid

QKY

QKY
Name:	(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
Formula:	C18 H25 N3 O
SMILES:	N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3
InChi:	InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1
Definition date:	2019-11-12
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one

QL1

QL1
Name:	(5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C21 H27 N3 O2
SMILES:	N4(C(N)=NC(C13CC2CC(C1)CC(C2)C3)(C4=O)c5ccc(cc5)OC)C
InChi:	InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13-,14+,15-,20-,21-/m1/s1
Definition date:	2019-11-12
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one

QME

QME
Name:	2-[(2~{R})-piperidin-2-yl]-1~{H}-indole
Formula:	C13 H16 N2
SMILES:	C1CC[CH](NC1)c2[nH]c3ccccc3c2
InChi:	InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1
Definition date:	2020-06-30
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-[(2~{R})-piperidin-2-yl]-1~{H}-indole

O9Z

O9Z
Name:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C15 H9 F O4
SMILES:	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
InChi:	InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
Definition date:	2020-02-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

8Y1

8Y1
Name:	6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
Formula:	C20 H19 N3 O S
SMILES:	NCC(c1ccccc1)N3CCc2c(csc2C3=O)c4cnccc4
InChi:	InChI=1S/C20H19N3OS/c21-11-18(14-5-2-1-3-6-14)23-10-8-16-17(13-25-19(16)20(23)24)15-7-4-9-22-12-15/h1-7,9,12-13,18H,8,10-11,21H2/t18-/m0/s1
Definition date:	2017-03-18
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

8ZO

8ZO
Name:	prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Formula:	C12 H12 O4 S
SMILES:	C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12
InChi:	InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1
Definition date:	2017-11-13
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate

91A

91A
Name:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
Formula:	C18 H23 N3 O S
SMILES:	C(C(N2CCc3c(c1cccnc1)csc3C2=O)CN)C(C)C
InChi:	InChI=1S/C18H23N3OS/c1-12(2)8-14(9-19)21-7-5-15-16(11-23-17(15)18(21)22)13-4-3-6-20-10-13/h3-4,6,10-12,14H,5,7-9,19H2,1-2H3/t14-/m1/s1
Definition date:	2017-03-27
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

PZ8

PZ8
Name:	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula:	C13 H12 Cl N O2
SMILES:	Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2
InChi:	InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)
Definition date:	2020-05-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

QAD

QAD
Name:	4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
Formula:	C14 H14 O5 S
SMILES:	O=C(CCC(=O)c2sc1cc(OC)c(cc1c2)OC)O
InChi:	InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
Definition date:	2019-10-09
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid

QAV

QAV
Name:	4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)
Formula:	C29 H28 O8 S2
SMILES:	OC(CCC(=O)c1sc2cc(OC)c(cc2c1)CCCc4cc3cc(sc3cc4OC)C(CCC(O)=O)=O)=O
InChi:	InChI=1S/C29H28O8S2/c1-36-22-14-24-18(12-26(38-24)20(30)6-8-28(32)33)10-16(22)4-3-5-17-11-19-13-27(21(31)7-9-29(34)35)39-25(19)15-23(17)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)

QB1

QB1
Name:	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
Formula:	C29 H28 O10 S2
SMILES:	O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4)OC
InChi:	InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)41-25(16)15-23(20)39-9-3-8-38-22-11-17-13-27(19(31)5-7-29(34)35)40-24(17)14-21(22)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid

PKP

PKP
Name:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
Formula:	C21 H18 Cl N O3 S
SMILES:	C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O
InChi:	InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3
Definition date:	2019-08-14
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one

POJ

POJ
Name:	N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
Formula:	C23 H27 F3 N4 O4 S
SMILES:	c2(ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CCCC4CN3CCOCC3)(=O)=O
InChi:	InChI=1S/C23H27F3N4O4S/c24-23(25,26)17-3-5-18(6-4-17)27-22(31)28-19-7-9-21(10-8-19)35(32,33)30-11-1-2-20(30)16-29-12-14-34-15-13-29/h3-10,20H,1-2,11-16H2,(H2,27,28,31)/t20-/m0/s1
Definition date:	2019-08-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea

MQB

MQB
Name:	2-(1-benzofuran-3-yl)ethanoic acid
Formula:	C10 H8 O3
SMILES:	OC(=O)Cc1coc2ccccc12
InChi:	InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
Definition date:	2019-10-21
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(1-benzofuran-3-yl)ethanoic acid

MUK

MUK
Name:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
Formula:	C12 H13 N3
SMILES:	Cc1cc(C)nc(Nc2ccccc2)n1
InChi:	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
Definition date:	2019-10-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

NVQ

NVQ
Name:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccc(Br)cc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-24-13-6-14-25-20-19(27(2)33(31,32)18-7-4-3-5-8-18)21(29)26-22(30)28(20)15-16-9-11-17(23)12-10-16/h3-5,7-12,24-25H,6,13-15H2,1-2H3,(H,26,29,30)
Definition date:	2019-12-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

P5T

P5T
Name:	Meta-Nidocarborane propyl-sulfonamide
Formula:	C5 H8 B9 N O2 S
SMILES:	N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:	InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-6-4-7-8(5)12(5)11(5,6)9(4,6)10(4,7)13(7,8,12)14(9,10,11)12/h1-3H2,(H2,15,16,17)
Definition date:	2020-04-15
Last modified:	2020-08-14
Release date:	2020-08-19

P6Q

P6Q
Name:	Meta-Carborane propyl-sulfonamide
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-4-8-11(4)5-6-10(4,5)14(6)13-7(5)12(5,11)9(13)15(4,8,13)14/h1-3H2,(H2,16,17,18)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

<550 551 552 553 554 555 556557558 559 560 561 562 563 564 565 >

222624

数据于2024-07-17公开中

PDB statistics

PDBj update info

Contact PDBj

numon