Chemie Search results for query - 日本蛋白质结构数据库

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: 35611 results BIRD

7OG

7OG
Name:	[(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone
Formula:	C22 H21 N5 O
SMILES:	c51ncnn1c(C4CN(C(c3ccc2c(cccc2)c3)=O)CCC4)cc(C)n5
InChi:	InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3/t19-/m0/s1
Definition date:	2016-11-25
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone

7OJ

7OJ
Name:	(3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
Formula:	C18 H15 Br F3 N5 O
SMILES:	n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(Br)c(cc3)F)=O)C4)F
InChi:	InChI=1S/C18H15BrF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2016-11-25
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

7OP

7OP
Name:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone
Formula:	C18 H16 F3 N5 O
SMILES:	n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3ccc(cc3)F)=O)C4)F
InChi:	InChI=1S/C18H16F3N5O/c1-11-6-15(26-17(24-11)22-10-23-26)13-7-18(20,21)9-25(8-13)16(27)12-2-4-14(19)5-3-12/h2-6,10,13H,7-9H2,1H3/t13-/m0/s1
Definition date:	2016-11-25
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone

7OV

7OV
Name:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone
Formula:	C18 H15 F3 I N5 O
SMILES:	n4c1ncnn1c(C3CC(F)(CN(C(c2cc(c(F)cc2)I)=O)C3)F)cc4C
InChi:	InChI=1S/C18H15F3IN5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(20,21)8-26(7-12)16(28)11-2-3-13(19)14(22)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2016-11-28
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone

7OY

7OY
Name:	(3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
Formula:	C18 H15 Cl F3 N5 O
SMILES:	n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(Cl)c(cc3)F)=O)C4)F
InChi:	InChI=1S/C18H15ClF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2016-11-28
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

7P4

7P4
Name:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone
Formula:	C18 H15 F4 N5 O
SMILES:	n2c1ncnn1c(cc2C)C4CC(F)(CN(C(c3cc(F)c(cc3)F)=O)C4)F
InChi:	InChI=1S/C18H15F4N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-13(19)14(20)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2016-11-28
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone

8JG

8JG
Name:	(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid
Formula:	C20 H32 O4
SMILES:	C43CC(O)C12CC(O)(C(C1)CCC2C3(C)CCCC4(C)C(=O)O)C
InChi:	InChI=1S/C20H32O4/c1-17-7-4-8-18(2,16(22)23)14(17)9-15(21)20-10-12(5-6-13(17)20)19(3,24)11-20/h12-15,21,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14+,15-,17+,18-,19-,20-/m1/s1
Definition date:	2017-02-09
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid

8JJ

8JJ
Name:	5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C30 H44 N5 O10 P
SMILES:	C1C67CC(C1(C)O)CCC7C2(C(C(CCC2)(C)C(=O)OP(=O)(O)OCC5C(C(C(n3cnc4c3ncnc4N)O5)O)O)CC6O)C
InChi:	InChI=1S/C30H44N5O10P/c1-27-7-4-8-28(2,18(27)9-19(36)30-10-15(5-6-17(27)30)29(3,40)12-30)26(39)45-46(41,42)43-11-16-21(37)22(38)25(44-16)35-14-34-20-23(31)32-13-33-24(20)35/h13-19,21-22,25,36-38,40H,4-12H2,1-3H3,(H,41,42)(H2,31,32,33)/t15-,16-,17+,18+,19-,21-,22-,25-,27+,28-,29-,30-/m1/s1
Definition date:	2017-02-09
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine

8K1

8K1
Name:	5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
Formula:	C30 H42 N5 O10 P
SMILES:	C1(C)(CCCC2(C1CC(C34C2C5CC(C3)C(C)(C4)O5)O)C)C(OP(O)(=O)OCC6C(O)C(O)C(O6)n7cnc8c7ncnc8N)=O
InChi:	InChI=1S/C30H42N5O10P/c1-27-5-4-6-28(2,17(27)8-18(36)30-9-14-7-15(22(27)30)44-29(14,3)11-30)26(39)45-46(40,41)42-10-16-20(37)21(38)25(43-16)35-13-34-19-23(31)32-12-33-24(19)35/h12-18,20-22,25,36-38H,4-11H2,1-3H3,(H,40,41)(H2,31,32,33)/t14-,15+,16-,17+,18-,20-,21-,22+,25-,27-,28-,29+,30+/m1/s1
Definition date:	2017-02-10
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine

67T

67T
Name:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
Formula:	C21 H17 Cl N8 O
SMILES:	C2(=O)c1c(cccc1Cl)N=C(N2c3ccccc3)C(C)Nc4c(C#N)c(nc(n4)N)N
InChi:	InChI=1S/C21H17ClN8O/c1-11(26-18-13(10-23)17(24)28-21(25)29-18)19-27-15-9-5-8-14(22)16(15)20(31)30(19)12-6-3-2-4-7-12/h2-9,11H,1H3,(H5,24,25,26,28,29)/t11-/m0/s1
Definition date:	2016-02-15
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile

68O

68O
Name:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
Formula:	C14 H12 F2 O2
SMILES:	Fc1c(cccc1)Oc2cc(F)c(CC)cc2O
InChi:	InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol

68R

68R
Name:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
Formula:	C25 H19 Cl N8 O
SMILES:	C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O
InChi:	InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one

69H

69H
Name:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
Formula:	C19 H23 F O2
SMILES:	CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C
InChi:	InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3
Definition date:	2016-02-19
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol

69J

69J
Name:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
Formula:	C14 H12 F N O4
SMILES:	[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol

69K

69K
Name:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
Formula:	C14 H14 F N O2
SMILES:	Cc1ncccc1Oc2cc(F)c(cc2O)CC
InChi:	InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
Definition date:	2016-02-21
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol

6AQ

6AQ
Name:	1-(4-fluorophenyl)-1H-imidazole
Formula:	C9 H7 F N2
SMILES:	c2ncn(c1ccc(F)cc1)c2
InChi:	InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-fluorophenyl)-1H-imidazole

6AR

6AR
Name:	1-(4-bromophenyl)-1H-imidazole
Formula:	C9 H7 Br N2
SMILES:	Brc1ccc(cc1)n2ccnc2
InChi:	InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	1-(4-bromophenyl)-1H-imidazole

6AV

6AV
Name:	5-chloro-2-(1H-imidazol-1-yl)aniline
Formula:	C9 H8 Cl N3
SMILES:	n2(c1ccc(Cl)cc1N)ccnc2
InChi:	InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-chloro-2-(1H-imidazol-1-yl)aniline

6AX

6AX
Name:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Formula:	C9 H8 Cl N3 O
SMILES:	c2(Cl)ccc(Cc1nnc(N)o1)cc2
InChi:	InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

6AY

6AY
Name:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C13 H12 Cl N5
SMILES:	c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3
InChi:	InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6B1

6B1
Name:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol
Formula:	C8 H6 Cl2 N2 O
SMILES:	c2(cc1nc(nc1cc2Cl)CO)Cl
InChi:	InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)
Definition date:	2016-02-26
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	(5,6-dichloro-1H-benzimidazol-2-yl)methanol

6BM

6BM
Name:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
Formula:	C5 H10 N O5 P
SMILES:	N1(O)CCCC(C1=O)P(O)(=O)O
InChi:	InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1
Definition date:	2016-03-02
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid

918

918
Name:	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C18 H21 F3 N6 O
SMILES:	Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F
InChi:	InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-1-2-4-26)25-17(24-14)27-5-7-28-8-6-27/h9-11H,1-8H2,(H2,22,23)
Definition date:	2016-10-31
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

6W0

6W0
Name:	~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C16 H16 N2 O2 S
SMILES:	COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChi:	InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide

6W1

6W1
Name:	4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C26 H27 N3 O3 S
SMILES:	Cn1c(cc2sccc12)C(=O)Nc3ccccc3COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

<993 994 995 996 997 998 99910001001 1002 1003 1004 1005 1006 1007 1008 >

225946

数据于2024-10-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon