Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 39984 results BIRD

D0K

D0K
Name:	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C21 H22 N6 O3
SMILES:	CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C21H22N6O3/c1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)
Definition date:	2017-12-14
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide

JVP

JVP
Name:	5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide
Formula:	C22 H20 F2 N6 O2
SMILES:	c3cc(c1nn(c(c1C(=O)N)N)C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F
InChi:	InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m1/s1
Definition date:	2018-10-04
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide

E5N

E5N
Name:	(2~{R})-2-methylpentanedioic acid
Formula:	C6 H10 O4
SMILES:	C[CH](CCC(O)=O)C(O)=O
InChi:	InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
Definition date:	2018-02-20
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{R})-2-methylpentanedioic acid

FTQ

FTQ
Name:	bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
Formula:	C16 H28 Au N4
SMILES:	CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C
InChi:	InChI=1S/2C8H14N2.Au/c2*1-3-4-5-10-7-6-9(2)8-10
Definition date:	2018-07-26
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold

4P2

4P2
Name:	(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
Formula:	C41 H53 N5 O8 S
SMILES:	O=S(=O)(NC(=O)C7(NC(=O)C1N2C(=O)C(NC(=O)OC5CCCC5CCCCCc3nc4c(cc3OC(C1)C2)cccc4)C6CCCC6)CC7/C=C)C8CC8
InChi:	InChI=1S/C41H53N5O8S/c1-2-28-23-41(28,39(49)45-55(51,52)30-19-20-30)44-37(47)33-22-29-24-46(33)38(48)36(26-12-6-7-13-26)43-40(50)54-34-18-10-15-25(34)11-4-3-5-17-32-35(53-29)21-27-14-8-9-16-31(27)42-32/h2,8-9,14,16,21,25-26,28-30,33-34,36H,1,3-7,10-13,15,17-20,22-24H2,(H,43,50)(H,44,47)(H,45,49)/t25-,28-,29-,33+,34-,36+,41-/m1/s1
Definition date:	2013-11-22
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide

AQ0

AQ0
Name:	2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one
Formula:	C19 H17 N3 O2
SMILES:	c4c3c(c2OC(C1CCC(CC1)N=[N+]=[N-])=CC(=O)c2cc3)ccc4
InChi:	InChI=1S/C19H17N3O2/c20-22-21-14-8-5-13(6-9-14)18-11-17(23)16-10-7-12-3-1-2-4-15(12)19(16)24-18/h1-4,7,10-11,13-14H,5-6,8-9H2/t13-,14+
Definition date:	2018-11-15
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one

DJ2

DJ2
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
Formula:	C10 H14 N6 O4
SMILES:	NOC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C10H14N6O4/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(20-10)1-19-12/h2-4,6-7,10,17-18H,1,12H2,(H2,11,13,14)/t4-,6-,7-,10-/m1/s1
Definition date:	2018-01-17
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol

DS8

DS8
Name:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
Formula:	C13 H24 O7
SMILES:	C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)C2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1
Definition date:	2018-01-29
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol

DSQ

DSQ
Name:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
Formula:	C13 H24 O8
SMILES:	C[CH]1O[CH](C[CH]2C[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H24O8/c1-5-10(16)13(19)12(18)7(20-5)2-6-3-9(15)21-8(4-14)11(6)17/h5-19H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11-,12+,13+/m0/s1
Definition date:	2018-01-29
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol

KCA

KCA
Name:	methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate
Formula:	C22 H24 F N3 O3
SMILES:	N(C(C(OC)=O)C(C)(C)C)C(c2nn(Cc1ccc(cc1)F)c3c2cccc3)=O
InChi:	InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1
Definition date:	2018-11-19
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate

D4W

D4W
Name:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
Formula:	C15 H11 Cl N2 O2
SMILES:	Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl
InChi:	InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H
Definition date:	2017-12-21
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol

D6E

D6E
Name:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C12 H20 N2 O7
SMILES:	CC(C)C[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1
Definition date:	2017-12-30
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid

D6K

D6K
Name:	(4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol
Formula:	C7 H14 O3
SMILES:	C[CH]1C[CH](O)OC(C)(C)O1
InChi:	InChI=1S/C7H14O3/c1-5-4-6(8)10-7(2,3)9-5/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
Definition date:	2018-01-02
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol

D7B

D7B
Name:	(S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Formula:	C26 H31 N3 O2
SMILES:	CC(=O)N1[CH](CN(Cc2ccccc2CO)c3cc(ccc13)C4=CCNCC4)C5CC5
InChi:	InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1
Definition date:	2018-01-08
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	1-[(2~{S})-2-cyclopropyl-4-[[2-(hydroxymethyl)phenyl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone

D7H

D7H
Name:	(S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
Formula:	C26 H27 N5 O3
SMILES:	CC(=O)N1[CH](CN(Cc2ccccc2CO)c3cc(ccc13)c4cnc(nc4)C(N)=O)C5CC5
InChi:	InChI=1S/C26H27N5O3/c1-16(33)31-22-9-8-18(21-11-28-26(25(27)34)29-12-21)10-23(22)30(14-24(31)17-6-7-17)13-19-4-2-3-5-20(19)15-32/h2-5,8-12,17,24,32H,6-7,13-15H2,1H3,(H2,27,34)/t24-/m1/s1
Definition date:	2018-01-08
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	5-[(2~{S})-2-cyclopropyl-1-ethanoyl-4-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydroquinoxalin-6-yl]pyrimidine-2-carboxamide

D7Q

D7Q
Name:	2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid
Formula:	C21 H22 N2 O3
SMILES:	CC(=O)N1[CH](CN(Cc2ccccc2C(O)=O)c3ccccc13)C4CC4
InChi:	InChI=1S/C21H22N2O3/c1-14(24)23-19-9-5-4-8-18(19)22(13-20(23)15-10-11-15)12-16-6-2-3-7-17(16)21(25)26/h2-9,15,20H,10-13H2,1H3,(H,25,26)/t20-/m1/s1
Definition date:	2018-01-08
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	2-[[(3~{S})-3-cyclopropyl-4-ethanoyl-2,3-dihydroquinoxalin-1-yl]methyl]benzoic acid

D7T

D7T
Name:	1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Formula:	C18 H20 N2 O
SMILES:	CC(=O)N1CCN(Cc2cccc(C)c2)c3ccccc13
InChi:	InChI=1S/C18H20N2O/c1-14-6-5-7-16(12-14)13-19-10-11-20(15(2)21)18-9-4-3-8-17(18)19/h3-9,12H,10-11,13H2,1-2H3
Definition date:	2018-01-08
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	1-[4-[(3-methylphenyl)methyl]-2,3-dihydroquinoxalin-1-yl]ethanone

J81

J81
Name:	(5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
Formula:	C31 H60 N2 O10
SMILES:	CCCCCCCCCNC(CCCC(C(C(NC(CCCCCCC)=O)COC1C(C(C(C(O1)CO)O)O)O)O)O)=O
InChi:	InChI=1S/C31H60N2O10/c1-3-5-7-9-10-12-14-19-32-25(36)18-15-16-23(35)27(38)22(33-26(37)17-13-11-8-6-4-2)21-42-31-30(41)29(40)28(39)24(20-34)43-31/h22-24,27-31,34-35,38-41H,3-21H2,1-2H3,(H,32,36)(H,33,37)/t22-,23+,24+,27-,28-,29-,30+,31-/m0/s1
Definition date:	2018-01-17
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)

2KX

2KX
Name:	(1R,2R)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate
Formula:	C20 H25 N O4
SMILES:	O=C(O)OC1CCCC1CCCCCc2nc3ccccc3cc2O
InChi:	InChI=1S/C20H25NO4/c22-18-13-15-8-4-5-10-16(15)21-17(18)11-3-1-2-7-14-9-6-12-19(14)25-20(23)24/h4-5,8,10,13-14,19,22H,1-3,6-7,9,11-12H2,(H,23,24)/t14-,19-/m1/s1
Definition date:	2013-11-22
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(1R,2R)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate

81B

81B
Name:	(cyclopentylamino)(oxo)acetic acid
Formula:	C7 H11 N O3
SMILES:	C(O)(C(NC1CCCC1)=O)=O
InChi:	InChI=1S/C7H11NO3/c9-6(7(10)11)8-5-3-1-2-4-5/h5H,1-4H2,(H,8,9)(H,10,11)
Definition date:	2018-02-23
Last modified:	2019-01-25
Release date:	2019-01-30
Identifier:	(cyclopentylamino)(oxo)acetic acid

HR5

HR5
Name:	~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
Formula:	C11 H17 N3 O
SMILES:	Cn1ncc(C(=O)NCC2CCC2)c1C
InChi:	InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
Definition date:	2018-12-17
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide

HR8

HR8
Name:	5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
Formula:	C12 H16 Cl N O2
SMILES:	COc1ccc(Cl)cc1C(=O)NCC(C)C
InChi:	InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
Definition date:	2018-12-17
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide

J0T

J0T
Name:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Formula:	C25 H26 F2 N6 O5 S
SMILES:	OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5
InChi:	InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21-,22+,23+,24-,25+/m1/s1
Definition date:	2019-01-11
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

J1E

J1E
Name:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Formula:	C25 H26 F2 N6 O5 S
SMILES:	OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5
InChi:	InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21+,22-,23-,24+,25-/m0/s1
Definition date:	2019-01-11
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

EC8

EC8
Name:	N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide
Formula:	C16 H9 F4 N3 O4
SMILES:	Oc1ccccc1C(=O)NN2C(=O)C(=O)Nc3cc(c(F)cc23)C(F)(F)F
InChi:	InChI=1S/C16H9F4N3O4/c17-9-6-11-10(5-8(9)16(18,19)20)21-14(26)15(27)23(11)22-13(25)7-3-1-2-4-12(7)24/h1-6,24H,(H,21,26)(H,22,25)
Definition date:	2018-03-14
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	~{N}-[7-fluoranyl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]-2-oxidanyl-benzamide

<838 839 840 841 842 843 844845846 847 848 849 850 851 852 853 >

224004

건을2024-08-21부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon