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DQP

DQP
Name:	{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
Formula:	C16 H9 Br5 Cl N O4
SMILES:	Brc1c(c(Br)c(Br)c(Br)c1Br)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:	InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
Definition date:	2015-01-15
Last modified:	2016-10-07
Release date:	2016-10-12
Identifier:	{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid

MLJ

MLJ
Name:	~{N}-[3-oxidanylidene-3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide
Formula:	C21 H21 F3 N2 O3
SMILES:	FC(F)(F)Oc1ccc(cc1)C(=O)NCCC(=O)N[CH]2CCCc3ccccc23
InChi:	InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1
Definition date:	2016-06-01
Last modified:	2016-10-07
Release date:	2016-10-12
Identifier:	~{N}-[3-oxidanylidene-3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide

53P

53P
Name:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile
Formula:	C21 H19 F N6 O2
SMILES:	C(c4c3c1cc(c(nc1)N)OC(c2cc(ccc2C(N(Cc3nn4C)C)=O)F)C)#N
InChi:	InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
Definition date:	2015-07-22
Last modified:	2016-10-04
Release date:	2016-06-08
Identifier:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

5P8

5P8
Name:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
Formula:	C21 H19 F N6 O2
SMILES:	C(#N)c4c3c1cc(c(nc1)N)OC(c2cc(ccc2C(N(Cc3nn4C)C)=O)F)C
InChi:	InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
Definition date:	2014-01-15
Last modified:	2016-10-04
Release date:	2014-05-28
Identifier:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

UX0

UX0
Name:	(1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL
Formula:	C15 H19 N3 O4
SMILES:	COc1cccc2ncnc(N[CH]3C[CH](CO)[CH](O)[CH]3O)c12
InChi:	InChI=1S/C15H19N3O4/c1-22-11-4-2-3-9-12(11)15(17-7-16-9)18-10-5-8(6-19)13(20)14(10)21/h2-4,7-8,10,13-14,19-21H,5-6H2,1H3,(H,16,17,18)/t8-,10-,13-,14+/m1/s1
Definition date:	2015-09-22
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(5-methoxyquinazolin-4-yl)amino]cyclopentane-1,2-diol

ZVO

ZVO
Name:	5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
Formula:	C8 H8 N6
SMILES:	CN1N=C(N)c2c[nH]c3ncnc1c23
InChi:	InChI=1S/C8H8N6/c1-14-8-5-4(6(9)13-14)2-10-7(5)11-3-12-8/h2-3H,1H3,(H2,9,13)(H,10,11,12)
Definition date:	2015-09-22
Last modified:	2016-09-30
Release date:	2016-10-05

ZJB

ZJB
Name:	(2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
Formula:	C13 H16 N6 O4
SMILES:	CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3O)c4ncnc1c24
InChi:	InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
Definition date:	2015-09-22
Last modified:	2016-09-30
Release date:	2016-10-05

SBK

SBK
Name:	Triclopyr
Formula:	C7 H4 Cl3 N O3
SMILES:	OC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChi:	InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
Definition date:	2016-05-26
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	2-[3,5,6-tris(chloranyl)pyridin-2-yl]oxyethanoic acid

BBW

BBW
Name:	7-methylquinazolin-4-amine
Formula:	C9 H9 N3
SMILES:	Cc1ccc2c(N)ncnc2c1
InChi:	InChI=1S/C9H9N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3,(H2,10,11,12)
Definition date:	2015-09-23
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	7-methylquinazolin-4-amine

MBL

MBL
Name:	1-pentyl-4-phenyl-imidazol-2-amine
Formula:	C14 H19 N3
SMILES:	CCCCCn1cc(nc1N)c2ccccc2
InChi:	InChI=1S/C14H19N3/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)
Definition date:	2015-09-29
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	1-pentyl-4-phenyl-imidazol-2-amine

5D6

5D6
Name:	orthoformimycin
Formula:	C25 H37 N3 O10
SMILES:	O1C(OC3C1C(C(C(NC(=O)C(=[C@H]c2ccc(cc2)N(C)C)C)C3N(C)C)O)O)OC(C(O)CO)C(=O)O
InChi:	InChI=1S/C25H37N3O10/c1-12(10-13-6-8-14(9-7-13)27(2)3)23(33)26-16-17(28(4)5)21-22(19(32)18(16)31)38-25(37-21)36-20(24(34)35)15(30)11-29/h6-10,15-22,25,29-32H,11H2,1-5H3,(H,26,33)(H,34,35)/b12-10+/t15-,16-,17+,18-,19+,20-,21-,22+,25+/m0/s1
Definition date:	2015-09-08
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	(2S,3S)-2-{[(2R,3aS,4R,5S,6S,7R,7aR)-4-(dimethylamino)-5-({(2E)-3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoyl}amino)-6,7-dihydroxyhexahydro-1,3-benzodioxol-2-yl]oxy}-3,4-dihydroxybutanoic acid

5H6

5H6
Name:	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
Formula:	C8 H4 Cl N O3 S
SMILES:	c2c(c1cc(C(O)=O)no1)sc(c2)Cl
InChi:	InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
Definition date:	2015-09-24
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

5HB

5HB
Name:	N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide
Formula:	C24 H28 N2 O2 S
SMILES:	C4N(Cc1ccccc1)CC(CN(C)S(=O)(=O)c3ccc2c(cccc2)c3)CC4
InChi:	InChI=1S/C24H28N2O2S/c1-25(29(27,28)24-14-13-22-11-5-6-12-23(22)16-24)17-21-10-7-15-26(19-21)18-20-8-3-2-4-9-20/h2-6,8-9,11-14,16,21H,7,10,15,17-19H2,1H3/t21-/m0/s1
Definition date:	2015-09-25
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide

4QG

4QG
Name:	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
Formula:	C16 H11 Cl N2 O2
SMILES:	c2(cnc(c1ccc(cc1)C(N)=O)o2)c3ccc(cc3)Cl
InChi:	InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)
Definition date:	2015-05-08
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide

5J8

5J8
Name:	[[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H32 N7 O17 P3
SMILES:	NC(=O)C1=CN(CCC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H32N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h4,7-8,10-11,13-16,20-21,29-31H,1-3,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	2015-09-30
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	[[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

5JB

5JB
Name:	(25S)-3-oxocholest-4-en-26-oyl-CoA
Formula:	C48 H76 N7 O18 P3 S
SMILES:	C[CH](CCC[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]4CC[CH]5[CH]6CCC7=CC(=O)CC[C]7(C)[CH]6CC[C]45C
InChi:	InChI=1S/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1
Definition date:	2015-09-21
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanethioate

5JD

5JD
Name:	3,4-dichlorophenol
Formula:	C6 H4 Cl2 O
SMILES:	c1c(Cl)c(Cl)ccc1O
InChi:	InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:	2015-09-30
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	3,4-dichlorophenol

5JF

5JF
Name:	2,3-dichlorophenol
Formula:	C6 H4 Cl2 O
SMILES:	Clc1c(Cl)cccc1O
InChi:	InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
Definition date:	2015-09-30
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	2,3-dichlorophenol

5P7

5P7
Name:	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
Formula:	C14 H17 N3 O3
SMILES:	OC[CH]1C[CH](Nc2ncnc3ccccc23)[CH](O)[CH]1O
InChi:	InChI=1S/C14H17N3O3/c18-6-8-5-11(13(20)12(8)19)17-14-9-3-1-2-4-10(9)15-7-16-14/h1-4,7-8,11-13,18-20H,5-6H2,(H,15,16,17)/t8-,11-,12-,13+/m1/s1
Definition date:	2015-09-22
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol

5QU

5QU
Name:	(2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine
Formula:	C19 H19 F2 N5 O S
SMILES:	Cc1onc(C)c1[CH]2C[CH](N[CH](N)S2)c3cc(c(F)cc3F)c4cncnc4
InChi:	InChI=1S/C19H19F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17,19,25H,5,22H2,1-2H3/t16-,17-,19+/m0/s1
Definition date:	2015-11-11
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	(2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine

5SY

5SY
Name:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
Formula:	C19 H22 O9
SMILES:	CO[CH]1O[CH](CO)[CH](O)[CH](OCC2=Cc3ccccc3OC2=O)[CH]1OC(C)=O
InChi:	InChI=1S/C19H22O9/c1-10(21)26-17-16(15(22)14(8-20)28-19(17)24-2)25-9-12-7-11-5-3-4-6-13(11)27-18(12)23/h3-7,14-17,19-20,22H,8-9H2,1-2H3/t14-,15+,16+,17-,19+/m1/s1
Definition date:	2015-11-25
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate

N8Y

N8Y
Name:	6-methoxyquinazolin-4-amine
Formula:	C9 H9 N3 O
SMILES:	COc1ccc2ncnc(N)c2c1
InChi:	InChI=1S/C9H9N3O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3,(H2,10,11,12)
Definition date:	2015-09-23
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	6-methoxyquinazolin-4-amine

NZN

NZN
Name:	N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
Formula:	C16 H26 N4 O3
SMILES:	O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O
InChi:	InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23)
Definition date:	2016-03-24
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	N~1~-(2-cycloheptyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)-N~4~-ethylbutanediamide

6BW

6BW
Name:	(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
Formula:	C15 H24
SMILES:	C1C=C(C)C2(C(C1)C)CC(C(=C)C)CC2
InChi:	InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
Definition date:	2016-03-04
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene

6CJ

6CJ
Name:	N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine
Formula:	C33 H30 N2 O6 S
SMILES:	O(C1CCCCC1)c6ccc5SC=3N(C(=O)C(c2ccccc2)=CC=3C(=O)NC(C(O)=O)Cc4ccc(O)cc4)c5c6
InChi:	InChI=1S/C33H30N2O6S/c36-22-13-11-20(12-14-22)17-27(33(39)40)34-30(37)26-19-25(21-7-3-1-4-8-21)31(38)35-28-18-24(15-16-29(28)42-32(26)35)41-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,18-19,23,27,36H,2,5-6,9-10,17H2,(H,34,37)(H,39,40)/t27-/m0/s1
Definition date:	2016-03-11
Last modified:	2016-09-30
Release date:	2016-10-05
Identifier:	N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine

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