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: 35294 results BIRD

8BG

8BG
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
Formula:	C29 H39 N3 O7 S
SMILES:	c5c(S(N(C1(CC1)C(C(NC(OC2COC3C2CCO3)=O)Cc4ccccc4)O)CC(C)C)(=O)=O)ccc(c5)N
InChi:	InChI=1S/C29H39N3O7S/c1-19(2)17-32(40(35,36)22-10-8-21(30)9-11-22)29(13-14-29)26(33)24(16-20-6-4-3-5-7-20)31-28(34)39-25-18-38-27-23(25)12-15-37-27/h3-11,19,23-27,33H,12-18,30H2,1-2H3,(H,31,34)/t23-,24-,25-,26-,27+/m0/s1
Definition date:	2017-01-17
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2S)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate

IQQ

IQQ
Name:	3-(3-hydroxyphenyl)benzoic acid
Formula:	C13 H10 O3
SMILES:	OC(=O)c1cccc(c1)c2cccc(O)c2
InChi:	InChI=1S/C13H10O3/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8,14H,(H,15,16)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(3-hydroxyphenyl)benzoic acid

7KY

7KY
Name:	methyl 2-(2-{1-[(4-bromophenyl)methyl]-1H-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate
Formula:	C20 H18 Br Cl N2 O4
SMILES:	COC(=O)c1c(O)cc(O)c(c1CCc2nccn2Cc3ccc(Br)cc3)Cl
InChi:	InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
Definition date:	2016-11-07
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	methyl 2-(2-{1-[(4-bromophenyl)methyl]-1H-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate

9P2

9P2
Name:	1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
Formula:	C36 H35 N3 O4
SMILES:	CCCCn1c(CN(Cc2ccc3OCOc3c2)Cc4ccc5OCOc5c4)c(nc1c6ccccc6)c7ccccc7
InChi:	InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3
Definition date:	2017-06-19
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine

8T8

8T8
Name:	(1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine
Formula:	C20 H18 Br F3 N2 O
SMILES:	FC(F)(F)Oc1ccc2c([nH]c3[CH](CCCc23)NCc4ccc(Br)cc4)c1
InChi:	InChI=1S/C20H18BrF3N2O/c21-13-6-4-12(5-7-13)11-25-17-3-1-2-16-15-9-8-14(27-20(22,23)24)10-18(15)26-19(16)17/h4-10,17,25-26H,1-3,11H2/t17-/m0/s1
Definition date:	2017-03-06
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine

8UM

8UM
Name:	5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide
Formula:	C21 H20 F N3 O4 S2
SMILES:	c3(NS(c2ccc(C1=CNC(=O)C(C1)(C)CC)s2)(=O)=O)cc4c(cc3F)C=CNC4=O
InChi:	InChI=1S/C21H20FN3O4S2/c1-3-21(2)10-13(11-24-20(21)27)17-4-5-18(30-17)31(28,29)25-16-9-14-12(8-15(16)22)6-7-23-19(14)26/h4-9,11,25H,3,10H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1
Definition date:	2017-03-03
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide

8US

8US
Name:	N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
Formula:	C17 H16 F N3 O4 S2
SMILES:	c3(NS(c1ccc(s1)N2CCC(C2)O)(=O)=O)cc4c(cc3F)C=CNC4=O
InChi:	InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1
Definition date:	2017-03-03
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide

8X1

8X1
Name:	5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine
Formula:	C14 H19 N7 O7 S
SMILES:	O=S(=O)(NC(C1CCN1)=O)OCC2C(C(O)C(O2)n3cnc4c3ncnc4N)O
InChi:	InChI=1S/C14H19N7O7S/c15-11-8-12(18-4-17-11)21(5-19-8)14-10(23)9(22)7(28-14)3-27-29(25,26)20-13(24)6-1-2-16-6/h4-7,9-10,14,16,22-23H,1-3H2,(H,20,24)(H2,15,17,18)/t6-,7+,9+,10+,14+/m0/s1
Definition date:	2017-03-15
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine

CQY

CQY
Name:	(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
Formula:	C21 H26 N4 O4 S
SMILES:	CCOc1c(scc1)C(N2CCN(CC2)c3cc(c(cc3)[N+]([O-])=O)N4CCCC4)=O
InChi:	InChI=1S/C21H26N4O4S/c1-2-29-19-7-14-30-20(19)21(26)24-12-10-22(11-13-24)16-5-6-17(25(27)28)18(15-16)23-8-3-4-9-23/h5-7,14-15H,2-4,8-13H2,1H3
Definition date:	2017-10-02
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone

CU4

CU4
Name:	1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
Formula:	C24 H17 F N4 O3 S
SMILES:	CS(c1ccc(cc1)c3c(cn(c2ccc(cc2)C#N)n3)C(=O)Nc4cc(ccc4)F)(=O)=O
InChi:	InChI=1S/C24H17FN4O3S/c1-33(31,32)21-11-7-17(8-12-21)23-22(24(30)27-19-4-2-3-18(25)13-19)15-29(28-23)20-9-5-16(14-26)6-10-20/h2-13,15H,1H3,(H,27,30)
Definition date:	2017-10-02
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide

CVF

CVF
Name:	3-[4-(2-acetamidoethyl)phenyl]benzoic acid
Formula:	C17 H17 N O3
SMILES:	CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(O)=O
InChi:	InChI=1S/C17H17NO3/c1-12(19)18-10-9-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17(20)21/h2-8,11H,9-10H2,1H3,(H,18,19)(H,20,21)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-[4-(2-acetamidoethyl)phenyl]benzoic acid

CW2

CW2
Name:	N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
Formula:	C12 H20 Cl4 N2 O2
SMILES:	C(Cl)(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl
InChi:	InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)
Definition date:	2017-09-14
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)

BT7

BT7
Name:	(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
Formula:	C10 H16 F2 N2 O
SMILES:	n1n(C(CC)CC)cc(C(C(F)F)O)c1
InChi:	InChI=1S/C10H16F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8-10,15H,3-4H2,1-2H3/t9-/m0/s1
Definition date:	2017-08-24
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol

DUY

DUY
Name:	(2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid
Formula:	C29 H40 Br N3 O6
SMILES:	C(N3CCC(C(=O)NC(C1CCCC1)C(O)=O)(c2ccc(Br)cc2)CC3)(C4CCCN4C(OC(C)(C)C)=O)=O
InChi:	InChI=1S/C29H40BrN3O6/c1-28(2,3)39-27(38)33-16-6-9-22(33)24(34)32-17-14-29(15-18-32,20-10-12-21(30)13-11-20)26(37)31-23(25(35)36)19-7-4-5-8-19/h10-13,19,22-23H,4-9,14-18H2,1-3H3,(H,31,37)(H,35,36)/t22-,23-/m0/s1
Definition date:	2017-11-08
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid

AOY

AOY
Name:	(3E)-3-[(phenylamino)methylidene]oxan-2-one
Formula:	C12 H13 N O2
SMILES:	N(c1ccccc1)/C=C2CCCOC2=O
InChi:	InChI=1S/C12H13NO2/c14-12-10(5-4-8-15-12)9-13-11-6-2-1-3-7-11/h1-3,6-7,9,13H,4-5,8H2/b10-9+
Definition date:	2017-07-20
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	(3E)-3-[(phenylamino)methylidene]oxan-2-one

AQ1

AQ1
Name:	2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Formula:	C13 H14 F N3 O
SMILES:	N2=C(Nc1c(F)cccc1)NC(C=C2CCC)=O
InChi:	InChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)
Definition date:	2017-07-20
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one

EAJ

EAJ
Name:	3-(2-methoxyphenyl)benzoic acid
Formula:	C14 H12 O3
SMILES:	COc1ccccc1c2cccc(c2)C(O)=O
InChi:	InChI=1S/C14H12O3/c1-17-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(15)16/h2-9H,1H3,(H,15,16)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(2-methoxyphenyl)benzoic acid

EFX

EFX
Name:	3-(3-methoxycarbonylphenyl)benzoic acid
Formula:	C15 H12 O4
SMILES:	COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O
InChi:	InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(3-methoxycarbonylphenyl)benzoic acid

AUV

AUV
Name:	3-(2-hydroxyphenyl)benzoic acid
Formula:	C13 H10 O3
SMILES:	OC(=O)c1cccc(c1)c2ccccc2O
InChi:	InChI=1S/C13H10O3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14H,(H,15,16)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(2-hydroxyphenyl)benzoic acid

AV4

AV4
Name:	3-[3-(dimethylamino)phenyl]benzoic acid
Formula:	C15 H15 N O2
SMILES:	CN(C)c1cccc(c1)c2cccc(c2)C(O)=O
InChi:	InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-[3-(dimethylamino)phenyl]benzoic acid

AV7

AV7
Name:	3-(3-acetamidophenyl)benzoic acid
Formula:	C15 H13 N O3
SMILES:	CC(=O)Nc1cccc(c1)c2cccc(c2)C(O)=O
InChi:	InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(3-acetamidophenyl)benzoic acid

AVA

AVA
Name:	3-pyridin-2-ylbenzoic acid
Formula:	C12 H9 N O2
SMILES:	OC(=O)c1cccc(c1)c2ccccn2
InChi:	InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-pyridin-2-ylbenzoic acid

AVM

AVM
Name:	3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid
Formula:	C24 H18 N2 O3
SMILES:	CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O
InChi:	InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid

B4A

B4A
Name:	2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C25 H26 N8 O2 S2
SMILES:	N(C(Cc1ccccc1)=O)c5nnc(NC2CCN(CC2)c3sc(nn3)NC(=O)Cc4ccccc4)s5
InChi:	InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35)
Definition date:	2017-07-31
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

F1C

F1C
Name:	3,5-bis(3-acetamidophenyl)benzoic acid
Formula:	C23 H20 N2 O4
SMILES:	CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O
InChi:	InChI=1S/C23H20N2O4/c1-14(26)24-21-7-3-5-16(12-21)18-9-19(11-20(10-18)23(28)29)17-6-4-8-22(13-17)25-15(2)27/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
Definition date:	2017-07-27
Last modified:	2018-01-05
Release date:	2018-01-10
Identifier:	3,5-bis(3-acetamidophenyl)benzoic acid

<881 882 883 884 885 886 887888889 890 891 892 893 894 895 896 >

223166

數據於2024-07-31公開中

PDB statistics

PDBj update info

Contact PDBj

numon