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: 35504 results BIRD

Y30

Y30
Name:	3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid
Formula:	C30 H29 Cl2 N3 O5
SMILES:	Clc1ccc(cc1)COc2ccc(cc2)CN(C=O)C(c4c3ccc(Cl)cc3nc4C(=O)O)C(=O)NC(C)(C)C
InChi:	InChI=1S/C30H29Cl2N3O5/c1-30(2,3)34-28(37)27(25-23-13-10-21(32)14-24(23)33-26(25)29(38)39)35(17-36)15-18-6-11-22(12-7-18)40-16-19-4-8-20(31)9-5-19/h4-14,17,27,33H,15-16H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1
Definition date:	2013-09-11
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid

1O8

1O8
Name:	(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
Formula:	C20 H22 O2
SMILES:	O=C(O)C=C(C=CC=C(/C=C2/c1ccccc1CCC2)C)C
InChi:	InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+
Definition date:	2013-04-19
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid

1YM

1YM
Name:	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
Formula:	C18 H14 F3 N5 O3 S
SMILES:	O=C(O)c3cc(c1cnc(NC(=O)NCC)cc1c2nc(cs2)C(F)(F)F)cnc3
InChi:	InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)
Definition date:	2013-08-05
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid

0W2

0W2
Name:	1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea
Formula:	C29 H34 Cl F N4 O2
SMILES:	O=C(N3N(c1c(F)cccc1)C(c2ccccc2Cl)CC3)C(NC(=O)NC6C4CC5CC(C4)CC6C5)C
InChi:	InChI=1S/C29H34ClFN4O2/c1-17(32-29(37)33-27-20-13-18-12-19(15-20)16-21(27)14-18)28(36)34-11-10-25(22-6-2-3-7-23(22)30)35(34)26-9-5-4-8-24(26)31/h2-9,17-21,25,27H,10-16H2,1H3,(H2,32,33,37)/t17-,18-,19+,20-,21+,25+,27-/m0/s1
Definition date:	2012-07-17
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea

16J

16J
Name:	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
Formula:	C15 H20 Cl N3 O2
SMILES:	O=C(N2CCN(c1ccc(Cl)cc1)CC2)N3CCOCC3
InChi:	InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2
Definition date:	2012-10-19
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone

6DS

6DS
Name:	(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
Formula:	C29 H34 F6 O5
SMILES:	FC(F)(F)C(O)(/C=C/c1ccc(cc1C)C(c2ccc(OCC(O)CCC(=O)O)c(c2)C)(CC)CC)C(F)(F)F
InChi:	InChI=1S/C29H34F6O5/c1-5-26(6-2,22-9-11-24(19(4)16-22)40-17-23(36)10-12-25(37)38)21-8-7-20(18(3)15-21)13-14-27(39,28(30,31)32)29(33,34)35/h7-9,11,13-16,23,36,39H,5-6,10,12,17H2,1-4H3,(H,37,38)/b14-13+/t23-/m0/s1
Definition date:	2012-11-02
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid

DS4

DS4
Name:	[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid
Formula:	C32 H31 F7 O3
SMILES:	Fc1cc(ccc1CC(=O)O)c2ccc(cc2C)C(c3ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(c3)C)(CC)CC
InChi:	InChI=1S/C32H31F7O3/c1-5-29(6-2,24-10-9-21(19(3)15-24)13-14-30(42,31(34,35)36)32(37,38)39)25-11-12-26(20(4)16-25)22-7-8-23(18-28(40)41)27(33)17-22/h7-17,42H,5-6,18H2,1-4H3,(H,40,41)/b14-13+
Definition date:	2013-10-04
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid

DS5

DS5
Name:	(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
Formula:	C29 H32 F6 O5
SMILES:	FC(F)(F)C(O)(C#Cc1ccc(cc1C)C(c2ccc(OCC(O)CCC(=O)O)c(c2)C)(CC)CC)C(F)(F)F
InChi:	InChI=1S/C29H32F6O5/c1-5-26(6-2,22-9-11-24(19(4)16-22)40-17-23(36)10-12-25(37)38)21-8-7-20(18(3)15-21)13-14-27(39,28(30,31)32)29(33,34)35/h7-9,11,15-16,23,36,39H,5-6,10,12,17H2,1-4H3,(H,37,38)/t23-/m0/s1
Definition date:	2012-11-02
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	(4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid

29Z

29Z
Name:	(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Formula:	C25 H24 N4 O S
SMILES:	O=C(Nc1nc2ccc(cc2s1)c3cccnc3)C5CC5c4ccc(cc4)CN(C)C
InChi:	InChI=1S/C25H24N4OS/c1-29(2)15-16-5-7-17(8-6-16)20-13-21(20)24(30)28-25-27-22-10-9-18(12-23(22)31-25)19-4-3-11-26-14-19/h3-12,14,20-21H,13,15H2,1-2H3,(H,27,28,30)/t20-,21+/m1/s1
Definition date:	2013-09-16
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

1F7

1F7
Name:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate
Formula:	C25 H49 N2 O9 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCCCCCCCC
InChi:	InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m1/s1
Definition date:	2013-01-14
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate

28W

28W
Name:	3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide
Formula:	C24 H28 Cl N5 O5
SMILES:	O=C(NO)C(NC(c2c1ccc(Cl)cc1nc2C(=O)NO)C(=O)NCc3ccccc3)CC(C)C
InChi:	InChI=1S/C24H28ClN5O5/c1-13(2)10-18(22(31)29-34)28-20(23(32)26-12-14-6-4-3-5-7-14)19-16-9-8-15(25)11-17(16)27-21(19)24(33)30-35/h3-9,11,13,18,20,27-28,34-35H,10,12H2,1-2H3,(H,26,32)(H,29,31)(H,30,33)/t18-,20+/m0/s1
Definition date:	2013-09-11
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide

29Y

29Y
Name:	(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Formula:	C23 H23 N5 O S
SMILES:	O=C(Nc1nc2ccc(cc2s1)c3cnnc3)C5CC5c4ccc(cc4)CN(C)C
InChi:	InChI=1S/C23H23N5OS/c1-28(2)13-14-3-5-15(6-4-14)18-10-19(18)22(29)27-23-26-20-8-7-16(9-21(20)30-23)17-11-24-25-12-17/h3-9,11-12,18-19H,10,13H2,1-2H3,(H,24,25)(H,26,27,29)/t18-,19+/m1/s1
Definition date:	2013-09-16
Last modified:	2013-11-08
Release date:	2013-11-13
Identifier:	(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

PDB

PDB
Name:	1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C15 H12 Cl F3 N4 O
SMILES:	FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccccc3Cl
InChi:	InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
Definition date:	2009-10-08
Last modified:	2013-11-05
Identifier:	1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

BYE

BYE
Name:	1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C15 H12 Cl F3 N4 O
SMILES:	FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccccc3Cl
InChi:	InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m0/s1
Definition date:	2009-10-08
Last modified:	2013-11-05
Identifier:	1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

ZPE

ZPE
Name:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate
Formula:	C37 H70 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,22,24,35H,3-12,14,16-21,23,25-34,38H2,1-2H3,(H,41,42)/b15-13-,24-22?/t35-/m1/s1
Definition date:	2013-03-11
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-tetradec-5-enoyloxy]propyl (11Z)-octadec-11-enoate

JPP

JPP
Name:	Piperacillin (Open Form)
Formula:	C23 H29 N5 O7 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:	InChI=1S/C23H29N5O7S/c1-4-27-10-11-28(20(32)19(27)31)22(35)25-15(13-8-6-5-7-9-13)17(30)24-14(12-29)18-26-16(21(33)34)23(2,3)36-18/h5-9,12,14-16,18,26H,4,10-11H2,1-3H3,(H,24,30)(H,25,35)(H,33,34)/t14-,15-,16+,18-/m1/s1
Definition date:	2013-07-18
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	(2R,4S)-2-[(1R)-1-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

6MD

6MD
Name:	N-methyladenosine
Formula:	C11 H15 N5 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC
InChi:	InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
Definition date:	2013-07-17
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	N-methyladenosine

CF9

CF9
Name:	2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate
Formula:	C18 H9 N O6
SMILES:	[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc4OC(=O)c3cccc2c34
InChi:	InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H
Definition date:	2013-08-02
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate

CHJ

CHJ
Name:	7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
Formula:	C16 H11 Cl O4
SMILES:	Clc3ccc(Oc2ccc1c(OC(=O)C=C1C)c2)c(O)c3
InChi:	InChI=1S/C16H11ClO4/c1-9-6-16(19)21-15-8-11(3-4-12(9)15)20-14-5-2-10(17)7-13(14)18/h2-8,18H,1H3
Definition date:	2012-12-27
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one

CHV

CHV
Name:	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one
Formula:	C15 H9 Cl O5
SMILES:	Clc3ccc(OC1=Cc2c(OC1=O)cc(O)cc2)c(O)c3
InChi:	InChI=1S/C15H9ClO5/c16-9-2-4-12(11(18)6-9)20-14-5-8-1-3-10(17)7-13(8)21-15(14)19/h1-7,17-18H
Definition date:	2012-12-27
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one

E1E

E1E
Name:	2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:	C14 H14 Cl N3 O3 S2
SMILES:	O=S(=O)(N)c2ccc(C(=O)CSc1nc(cc(n1)C)C)cc2Cl
InChi:	InChI=1S/C14H14ClN3O3S2/c1-8-5-9(2)18-14(17-8)22-7-12(19)10-3-4-13(11(15)6-10)23(16,20)21/h3-6H,7H2,1-2H3,(H2,16,20,21)
Definition date:	2013-05-23
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide

E1F

E1F
Name:	2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:	C12 H10 Cl N3 O3 S2
SMILES:	O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl
InChi:	InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)
Definition date:	2013-05-27
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide

E1G

E1G
Name:	3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
Formula:	C12 H11 N3 O3 S2
SMILES:	O=S(=O)(N)c2cccc(C(=O)CSc1ncccn1)c2
InChi:	InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18)
Definition date:	2013-05-28
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide

D5X

D5X
Name:	(2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate
Formula:	C5 H11 O8 P
SMILES:	O=P(OCC(O)C(O)(O)C(=O)C)(O)O
InChi:	InChI=1S/C5H11O8P/c1-3(6)5(8,9)4(7)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t4-/m0/s1
Definition date:	2013-06-27
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	(2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate

D8X

D8X
Name:	(2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate
Formula:	C8 H17 O8 P
SMILES:	O=P(OCC(O)C(O)(O)C(=O)CC(C)C)(O)O
InChi:	InChI=1S/C8H17O8P/c1-5(2)3-6(9)8(11,12)7(10)4-16-17(13,14)15/h5,7,10-12H,3-4H2,1-2H3,(H2,13,14,15)/t7-/m0/s1
Definition date:	2013-06-27
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	(2S)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate

<1160 1161 1162 1163 1164 1165 116611671168 1169 1170 1171 1172 1173 1174 1175 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon