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: 43884 results BIRD

S5A

S5A
Name:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
Formula:	C15 H14 O3
SMILES:	OC(=O)CCc1ccc(cc1)c2ccc(O)cc2
InChi:	InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

S5G

S5G
Name:	(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
Formula:	C6 H12 N2 O S2
SMILES:	CN1C(=S)S[CH](NO)C1(C)C
InChi:	InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

S5J

S5J
Name:	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile
Formula:	C13 H17 N3 O
SMILES:	COc1ccccc1N2CCN(CC2)CC#N
InChi:	InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile

S7A

S7A
Name:	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
Formula:	C7 H11 F3 N2 O
SMILES:	FC(F)(F)CC(=O)N1CCNCC1
InChi:	InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one

S7G

S7G
Name:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
Formula:	C11 H14 N2 O
SMILES:	CC(=O)N[CH]1CNc2ccccc2C1
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

S7J

S7J
Name:	2-(trifluoromethyl)pyrimidine-5-carboxamide
Formula:	C6 H4 F3 N3 O
SMILES:	NC(=O)c1cnc(nc1)C(F)(F)F
InChi:	InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(trifluoromethyl)pyrimidine-5-carboxamide

S7S

S7S
Name:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
Formula:	C7 H13 N5 O
SMILES:	CCCC(=O)Nc1nnn(CC)n1
InChi:	InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide

S8D

S8D
Name:	2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
Formula:	C10 H20 N2 O2
SMILES:	CCNC(=O)CN1C[CH](C)OC[CH]1C
InChi:	InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide

S8G

S8G
Name:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
Formula:	C9 H15 F3 N2 O
SMILES:	N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
InChi:	InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one

S8J

S8J
Name:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
Formula:	C11 H13 N5 O2
SMILES:	CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
InChi:	InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide

S8P

S8P
Name:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
Formula:	C10 H14 N2 O2 S
SMILES:	Cc1snc(c1)C(=O)NC[CH]2CCCO2
InChi:	InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

S8V

S8V
Name:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
Formula:	C8 H15 N O
SMILES:	C1C[CH](CNC2CC2)CO1
InChi:	InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine

S9D

S9D
Name:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
Formula:	C13 H14 N4 O
SMILES:	C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine

S9G

S9G
Name:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
Formula:	C13 H20 N2 O3
SMILES:	O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:	InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone

S9M

S9M
Name:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
Formula:	C9 H10 F2 N2 O
SMILES:	C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:	InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol

S9P

S9P
Name:	2-methyl-1,3-benzoxazol-6-ol
Formula:	C8 H7 N O2
SMILES:	Cc1oc2cc(O)ccc2n1
InChi:	InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-methyl-1,3-benzoxazol-6-ol

S9V

S9V
Name:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
Formula:	C11 H15 Cl N2 O2
SMILES:	CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:	InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea

MVV

MVV
Name:	(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
Formula:	C45 H84 O10
SMILES:	C1(C(CO)OC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC=[C@H]CCCCCCCC)C(C1O)O)O
InChi:	InChI=1S/C45H84O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39,42-46,49-51H,3-17,19,21-37H2,1-2H3/b20-18-/t38-,39+,42+,43-,44+,45-/m0/s1
Definition date:	2019-04-19
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate

RYP

RYP
Name:	~{N}-methyl-1-pyridin-4-yl-methanamine
Formula:	C7 H10 N2
SMILES:	CNCc1ccncc1
InChi:	InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
Definition date:	2020-03-02
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-methyl-1-pyridin-4-yl-methanamine

SNQ

SNQ
Name:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
Formula:	C11 H9 N3
SMILES:	Nc1ccc(n2cccc2)c(c1)C#N
InChi:	InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2
Definition date:	2011-07-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile

RL7

RL7
Name:	N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide
Formula:	C17 H16 F4 N2 O
SMILES:	C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O)NC2CC2)nc3)C
InChi:	InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)
Definition date:	2020-02-14
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide

RLA

RLA
Name:	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate
Formula:	C17 H18 F3 N O2
SMILES:	c1(ccc(cc1)Cc2c(nc(C(OCC)=O)c2C)C)C(F)(F)F
InChi:	InChI=1S/C17H18F3NO2/c1-4-23-16(22)15-10(2)14(11(3)21-15)9-12-5-7-13(8-6-12)17(18,19)20/h5-8,21H,4,9H2,1-3H3
Definition date:	2020-02-14
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate

Q47

Q47
Name:	3-bromo dicyclotyrosine
Formula:	C18 H17 Br N2 O4
SMILES:	Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(Br)c3)NC2=O)cc1
InChi:	InChI=1S/C18H17BrN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

KEB

KEB
Name:	(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Formula:	C20 H22 N2 O4
SMILES:	Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc(C)c1O
InChi:	InChI=1S/C20H22N2O4/c1-11-7-14(8-12(2)18(11)24)10-17-20(26)21-16(19(25)22-17)9-13-3-5-15(23)6-4-13/h3-8,16-17,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t16-,17-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

KEH

KEH
Name:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
Formula:	C18 H17 I N2 O4
SMILES:	Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(I)c3)NC2=O)cc1
InChi:	InChI=1S/C18H17IN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

<898 899 900 901 902 903 904905906 907 908 909 910 911 912 913 >

238582

數據於2025-07-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon