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D6X

D6X
Name:	N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
Formula:	C18 H18 N6
SMILES:	Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1
InChi:	InChI=1S/C18H18N6/c1-12-11-13(2)24-18(20-12)22-17(23-24)9-10-19-16-8-7-14-5-3-4-6-15(14)21-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	~{N}-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine

D79

D79
Name:	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
Formula:	C18 H16 N8 O
SMILES:	Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1
InChi:	InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol

D7C

D7C
Name:	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
Formula:	C19 H19 N7 O
SMILES:	C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4
InChi:	InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1
Definition date:	2019-07-12
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2~{S})-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

NQ7

NQ7
Name:	(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
Formula:	C13 H13 N3 O2
SMILES:	c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
InChi:	InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
Definition date:	2019-05-23
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one

NSJ

NSJ
Name:	3-[(thiomorpholin-4-yl)methyl]phenol
Formula:	C11 H15 N O S
SMILES:	N1(CCSCC1)Cc2cccc(c2)O
InChi:	InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-[(thiomorpholin-4-yl)methyl]phenol

NSV

NSV
Name:	1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
Formula:	C9 H15 N3 S
SMILES:	n2cc(CN1CCNCC1)sc2C
InChi:	InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine

NT7

NT7
Name:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
Formula:	C14 H20 N2 O2
SMILES:	N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:	InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

NTG

NTG
Name:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Formula:	C11 H13 N3 O
SMILES:	N#Cc2ncc(N1CCCOCC1)cc2
InChi:	InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

NUG

NUG
Name:	1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
Formula:	C10 H17 N O S
SMILES:	N2(CC1=CCSC1)CCC(CC2)O
InChi:	InChI=1S/C10H17NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,10,12H,1-2,4-8H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol

NUJ

NUJ
Name:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
Formula:	C11 H17 N3 O
SMILES:	N(c1nc(C)nc(c1)C)(C)C2CC(C2)O
InChi:	InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol

NUM

NUM
Name:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
Formula:	C14 H14 N2 O2
SMILES:	N(C(c1ccccn1)=O)CCc2ccc(cc2)O
InChi:	InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

NV7

NV7
Name:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
Formula:	C10 H16 N2 O3 S
SMILES:	N2(CCN(Cc1occc1)CC2)S(C)(=O)=O
InChi:	InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine

NVD

NVD
Name:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
Formula:	C11 H15 N5
SMILES:	N(C)(C)c2ccc(CNn1cnnc1)cc2
InChi:	InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

NVM

NVM
Name:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone
Formula:	C11 H14 N2 O S
SMILES:	N1(CCC(C)CC=C1)C(=O)c2cscn2
InChi:	InChI=1S/C11H14N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h2,5,7-9H,3-4,6H2,1H3/t9-/m1/s1
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone

NVY

NVY
Name:	1-ethyl-N-(2-fluorophenyl)piperidin-4-amine
Formula:	C13 H19 F N2
SMILES:	N1(CCC(CC1)Nc2ccccc2F)CC
InChi:	InChI=1S/C13H19FN2/c1-2-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-ethyl-N-(2-fluorophenyl)piperidin-4-amine

NW4

NW4
Name:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
Formula:	C13 H23 N O2
SMILES:	N1(CCOCC1)C(=O)CCC2CCCCC2
InChi:	InChI=1S/C13H23NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h12H,1-11H2
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one

NW7

NW7
Name:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
Formula:	C11 H13 N3 O3
SMILES:	n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC
InChi:	InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15)
Definition date:	2019-05-28
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide

G3W

G3W
Name:	2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
Formula:	C21 H20 F N O
SMILES:	Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
InChi:	InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
Definition date:	2018-08-23
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine

GHT

GHT
Name:	Boldine
Formula:	C19 H19 N O4
SMILES:	COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34
InChi:	InChI=1S/C19H19NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h6-9,21-22H,4-5H2,1-3H3
Definition date:	2018-09-17
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol

0RC

0RC
Name:	5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Formula:	C11 H20 N4 O10 P2
SMILES:	O=P(O)(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)CCN
InChi:	InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1
Definition date:	2007-08-13
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

KKQ

KKQ
Name:	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
Formula:	C25 H22 Br F N4 O
SMILES:	Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Br)cc5
InChi:	InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2
Definition date:	2019-06-03
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

KKZ

KKZ
Name:	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
Formula:	C25 H21 Cl F3 N5 O2
SMILES:	FC(F)(F)Oc1cccc(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Cl)cc5
InChi:	InChI=1S/C25H21ClF3N5O2/c26-18-9-7-17(8-10-18)23-20(34-11-2-1-5-21(34)31-23)16-32-12-14-33(15-13-32)24(35)19-4-3-6-22(30-19)36-25(27,28)29/h1-11H,12-16H2
Definition date:	2019-06-03
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone

JKQ

JKQ
Name:	(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
Formula:	C19 H18 N4 O2 S
SMILES:	CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3
InChi:	InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1
Definition date:	2019-03-08
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

JL5

JL5
Name:	(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
Formula:	C29 H31 Cl N4 O4 S
SMILES:	CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4cc(N5CCN(C)CC5)c(O)c(Cl)c4C
InChi:	InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1
Definition date:	2019-03-09
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid

JL8

JL8
Name:	(2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
Formula:	C24 H21 Cl N2 O4 S
SMILES:	CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(O)c(Cl)c4C
InChi:	InChI=1S/C24H21ClN2O4S/c1-3-18-19(15-9-10-16(28)21(25)13(15)2)20-22(26-12-27-23(20)32-18)31-17(24(29)30)11-14-7-5-4-6-8-14/h4-10,12,17,28H,3,11H2,1-2H3,(H,29,30)/t17-/m1/s1
Definition date:	2019-03-09
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid

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