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E5L

E5L
Name:	2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
Formula:	C23 H39 N O4
SMILES:	CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChi:	InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
Definition date:	2019-10-18
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2,2-dimethyl-~{N}-(2,4,6-trimethoxyphenyl)dodecanamide

LZY

LZY
Name:	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
Formula:	C11 H13 F N2 O
SMILES:	CN1Cc2cc(F)ccc2NCCC1=O
InChi:	InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one

M0D

M0D
Name:	2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
Formula:	C16 H19 N3 O2
SMILES:	N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O
InChi:	InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide

MJ4

MJ4
Name:	(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
Formula:	C9 H15 N O S
SMILES:	N(CC(C)O)Cc1ccc(s1)C
InChi:	InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m1/s1
Definition date:	2019-04-04
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol

N2Z

N2Z
Name:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole
Formula:	C8 H6 Cl N3
SMILES:	Clc1ccccc1c2[nH]cnn2
InChi:	InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-(2-chlorophenyl)-4~{H}-1,2,4-triazole

N3Q

N3Q
Name:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
Formula:	C12 H14 Cl2 N4 O2
SMILES:	OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2
InChi:	InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol

N3W

N3W
Name:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1cccc(c1Cl)c2[nH]cnn2
InChi:	InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline

N51

N51
Name:	4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
Formula:	C31 H29 N7 O2
SMILES:	N(C([C@H]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc(ncn2)c4cnc3c4cccc3)ccc5
InChi:	InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+
Definition date:	2019-05-02
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide

NE5

NE5
Name:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
Formula:	C24 H16 N2 O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:	InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/q+1/t20-/m1/s1
Definition date:	2019-11-26
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid

NJW

NJW
Name:	5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
Formula:	C24 H17 N3 O7
SMILES:	NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1
Definition date:	2019-12-02
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	5-[(2~{R},3~{Z})-3-[azanyl(phenyl)methylidene]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid

LKQ

LKQ
Name:	~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
Formula:	C25 H24 N8 O2
SMILES:	COc1nn(C)cc1Nc2ncc(C)c(n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34
InChi:	InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31)
Definition date:	2019-08-21
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide

LKT

LKT
Name:	2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
Formula:	C23 H19 Cl N8
SMILES:	Clc1cccc(N2CC[CH](C2)[CH](CC#N)n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N
InChi:	InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20-/m0/s1
Definition date:	2019-08-21
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile

NYN

NYN
Name:	chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate
Formula:	C8 H16 N2 Ru S3
SMILES:	C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4
InChi:	InChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1
Definition date:	2020-01-10
Last modified:	2020-04-24
Release date:	2020-04-29

LT7

LT7
Name:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
Formula:	C13 H17 N3 O
SMILES:	CC(C)NCc1onc(n1)c2ccc(C)cc2
InChi:	InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3
Definition date:	2019-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

LV1

LV1
Name:	1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
Formula:	C13 H11 F N2 O2
SMILES:	Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1
InChi:	InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea

LVD

LVD
Name:	1-phenylmethoxyurea
Formula:	C8 H10 N2 O2
SMILES:	NC(=O)NOCc1ccccc1
InChi:	InChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	1-phenylmethoxyurea

LVP

LVP
Name:	~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
Formula:	C10 H8 F N3 O2
SMILES:	Fc1ccccc1NNC(=O)c2oncc2
InChi:	InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)13-14-10(15)9-5-6-12-16-9/h1-6,13H,(H,14,15)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide

LWD

LWD
Name:	~{N}-quinolin-6-ylbenzamide
Formula:	C16 H12 N2 O
SMILES:	O=C(Nc1ccc2ncccc2c1)c3ccccc3
InChi:	InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-quinolin-6-ylbenzamide

LWV

LWV
Name:	2-morpholin-4-ylaniline
Formula:	C10 H14 N2 O
SMILES:	Nc1ccccc1N2CCOCC2
InChi:	InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-morpholin-4-ylaniline

LX4

LX4
Name:	4-cyclopentylcarbonylpiperazin-2-one
Formula:	C10 H16 N2 O2
SMILES:	O=C1CN(CCN1)C(=O)C2CCCC2
InChi:	InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-cyclopentylcarbonylpiperazin-2-one

LX7

LX7
Name:	1-[4-(trifluoromethyloxy)phenyl]thiourea
Formula:	C8 H7 F3 N2 O S
SMILES:	NC(=S)Nc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	1-[4-(trifluoromethyloxy)phenyl]thiourea

LXA

LXA
Name:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
Formula:	C11 H13 N3 O2
SMILES:	COCC(=O)NCc1[nH]c2ccccc2n1
InChi:	InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

LXJ

LXJ
Name:	(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
Formula:	C15 H16 N2 O2
SMILES:	O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3
InChi:	InChI=1S/C15H16N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-6,8,12-13H,7,9-10H2,(H,16,18)/t12-,13+/m1/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one

LXM

LXM
Name:	[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
Formula:	C18 H17 N O3
SMILES:	OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4
InChi:	InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone

LXS

LXS
Name:	3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
Formula:	C15 H16 N2 O4
SMILES:	CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O
InChi:	InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione

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