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: 36438 results BIRD

H2Y

H2Y
Name:	2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H14 N2 O2
SMILES:	N(C(Cc1ccc(OC)cc1)=O)c2cnccc2
InChi:	InChI=1S/C14H14N2O2/c1-18-13-6-4-11(5-7-13)9-14(17)16-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide

H31

H31
Name:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O
SMILES:	c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3
InChi:	InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H3A

H3A
Name:	N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
Formula:	C15 H14 Cl N O2
SMILES:	N(C(Cc1cccc(c1)OC)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C15H14ClNO2/c1-19-14-7-2-4-11(8-14)9-15(18)17-13-6-3-5-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide

H3D

H3D
Name:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
Formula:	C15 H19 N O3
SMILES:	C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3
InChi:	InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

H3G

H3G
Name:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
Formula:	C16 H23 N O
SMILES:	N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2
InChi:	InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone

H3J

H3J
Name:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
Formula:	C11 H9 N O2
SMILES:	n2cccc(OC=1C(C=CC=1C)=O)c2
InChi:	InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one

H3V

H3V
Name:	N-(1,2-oxazol-3-yl)-2-phenylacetamide
Formula:	C11 H10 N2 O2
SMILES:	N(C(Cc1ccccc1)=O)c2ccon2
InChi:	InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(1,2-oxazol-3-yl)-2-phenylacetamide

H3Y

H3Y
Name:	(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1C3CC2C1(CNC2)C(O)CC3c4ccccc4
InChi:	InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14+,15+/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H47

H47
Name:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide
Formula:	C12 H12 N2 O3
SMILES:	N(C(Cc1cccc(OC)c1)=O)c2ccon2
InChi:	InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide

H4A

H4A
Name:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4
InChi:	InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H4D

H4D
Name:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
Formula:	C13 H12 B N O5 S
SMILES:	N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O
InChi:	InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid

H4Y

H4Y
Name:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O2
SMILES:	N1(C(CCC1)=O)c3c(c2ccc(cc2)OC)cccc3
InChi:	InChI=1S/C17H17NO2/c1-20-14-10-8-13(9-11-14)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H54

H54
Name:	2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H14 N2 O
SMILES:	N(C(Cc1cccc(C)c1)=O)c2cccnc2
InChi:	InChI=1S/C14H14N2O/c1-11-4-2-5-12(8-11)9-14(17)16-13-6-3-7-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide

H5D

H5D
Name:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
Formula:	C20 H21 Cl N2 O2
SMILES:	N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc3)=O
InChi:	InChI=1S/C20H21ClN2O2/c1-14(24)23-10-4-9-19(23)16-6-2-5-15(11-16)12-20(25)22-18-8-3-7-17(21)13-18/h2-3,5-8,11,13,19H,4,9-10,12H2,1H3,(H,22,25)/t19-/m0/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

H5G

H5G
Name:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
Formula:	C14 H12 Cl N O2
SMILES:	N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C14H12ClNO2/c15-11-4-2-5-12(9-11)16-14(18)8-10-3-1-6-13(17)7-10/h1-7,9,17H,8H2,(H,16,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide

H68

H68
Name:	Tetrahydrocolumbamine
Formula:	C20 H23 N O4
SMILES:	COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
InChi:	InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
Definition date:	2018-11-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol

LUD

LUD
Name:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
Formula:	C20 H21 N7 O7
SMILES:	N=4C2=C(N3C(N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3CN2)=O)C(=O)NC=4N
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Definition date:	2019-03-14
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid

F1B

F1B
Name:	(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one
Formula:	C23 H25 N3 O2
SMILES:	CN1CCC(CC1)NC(c2ccccc2)=C3C(=O)Nc4ccc(cc34)C(C)=O
InChi:	InChI=1S/C23H25N3O2/c1-15(27)17-8-9-20-19(14-17)21(23(28)25-20)22(16-6-4-3-5-7-16)24-18-10-12-26(2)13-11-18/h3-9,14,18,24H,10-13H2,1-2H3,(H,25,28)/b22-21-
Definition date:	2018-05-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one

HUK

HUK
Name:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium
Formula:	C26 H45 N3
SMILES:	CCCC[NH+](C)[CH](C[NH+](C)CCC1CCCCCC1)Cc2c[nH]c3ccccc23
InChi:	InChI=1S/C26H43N3/c1-4-5-17-29(3)24(19-23-20-27-26-15-11-10-14-25(23)26)21-28(2)18-16-22-12-8-6-7-9-13-22/h10-11,14-15,20,22,24,27H,4-9,12-13,16-19,21H2,1-3H3/p+2/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium

HUN

HUN
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
Formula:	C24 H38 N3 O
SMILES:	CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

HUQ

HUQ
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
Formula:	C26 H42 N3 O
SMILES:	CCCC[N+](C)(C)[CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C26H41N3O/c1-4-5-18-29(2,3)25(19-22-20-28-24-15-11-10-14-23(22)24)26(30)27-17-16-21-12-8-6-7-9-13-21/h10-11,14-15,20-21,25,28H,4-9,12-13,16-19H2,1-3H3/p+1/t25-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

HUT

HUT
Name:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H39 N3 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3
InChi:	InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide

HUV

HUV
Name:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate
Formula:	C15 H20 N O14 P3
SMILES:	O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC
InChi:	InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate

HUZ

HUZ
Name:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H40 N4 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C
InChi:	InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide

HVE

HVE
Name:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
Formula:	C12 H18 N5
SMILES:	[NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23
InChi:	InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium

<744 745 746 747 748 749 750751752 753 754 755 756 757 758 759 >

222624

數據於2024-07-17公開中

PDB statistics

PDBj update info

Contact PDBj

numon