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: 35611 results BIRD

8V0

8V0
Name:	(2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid
Formula:	C9 H14 N4 O3
SMILES:	NCCC(=O)N[CH](Cc1c[nH]cn1)C(O)=O
InChi:	InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
Definition date:	2017-09-28
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	(2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid

8V3

8V3
Name:	(2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Formula:	C10 H16 N4 O3
SMILES:	Cn1cncc1C[CH](NC(=O)CCN)C(O)=O
InChi:	InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
Definition date:	2017-09-28
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	(2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

FCV

FCV
Name:	3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
Formula:	C18 H13 F2 N3 O3 S
SMILES:	c3ccnc(c2cc(C(=O)NNS(c1ccccc1F)(=O)=O)cc(c2)F)c3
InChi:	InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)
Definition date:	2018-03-23
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide

AQG

AQG
Name:	4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide
Formula:	C23 H30 N6 O2
SMILES:	c12nc(nc(c1ncn2)OCC3CCCCC3)Nc4ccc(cc4)C(N(CC)CC)=O
InChi:	InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)
Definition date:	2017-07-23
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide

AYN

AYN
Name:	1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
Formula:	C16 H11 F3 N2 O
SMILES:	NC(=O)c1cc2ccccc2n1c3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)
Definition date:	2017-08-31
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide

AYZ

AYZ
Name:	3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
Formula:	C19 H15 F3 N2 O4
SMILES:	NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1c3cccc(CCC(O)=O)c3
InChi:	InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
Definition date:	2017-08-31
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid

GFJ

GFJ
Name:	4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
Formula:	C24 H15 F3 N8
SMILES:	n3c5c(n(c1c2c(ncc1)c(ccc2F)F)c3C)cc(c4c(c(N)ncc4)F)cc5c6nncn6
InChi:	InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34)
Definition date:	2018-05-21
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine

GRQ

GRQ
Name:	Geranaldehyde
Formula:	C10 H16 O
SMILES:	CC(C)=CCCC(C)=CC=O
InChi:	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
Definition date:	2016-12-09
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	(2~{E})-3,7-dimethylocta-2,6-dienal

H5J

H5J
Name:	5-nitro-1,2-benzoxazole
Formula:	C7 H4 N2 O3
SMILES:	O=N(c2cc1cnoc1cc2)=O
InChi:	InChI=1S/C7H4N2O3/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
Definition date:	2018-06-11
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	5-nitro-1,2-benzoxazole

VA7

VA7
Name:	2'-deoxy-5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C11 H16 Cl2 N5 O11 P3
SMILES:	n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Cl)Cl)=O)N
InChi:	InChI=1S/C11H16Cl2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7+/m0/s1
Definition date:	2018-03-22
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	2'-deoxy-5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

9LL

9LL
Name:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
Formula:	C19 H14 F N3 O3 S
SMILES:	C(=O)(C(c1c(ccc(c1)F)O)N3Cc2c(cccc2)C3=O)Nc4nccs4
InChi:	InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)/t16-/m1/s1
Definition date:	2018-05-24
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

8J0

8J0
Name:	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C35 H50 O3
SMILES:	C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O)C6=C
InChi:	InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24-,25+,26-,29-,30-,31+,32+,33-,34-,35-/m1/s1
Definition date:	2017-07-13
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

8J3

8J3
Name:	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C35 H50 O3
SMILES:	C[CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O)C6=C
InChi:	InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24-,25+,26-,29-,30-,31+,32+,33+,34-,35-/m1/s1
Definition date:	2017-07-13
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

8K9

8K9
Name:	(1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
Formula:	C30 H44 N2 O3
SMILES:	CCC(C)(C)c1ccc(OC[CH](O)CN2C[CH]3C[CH](C2)C4=CC=CC(=O)N4C3)c(c1)C(C)(C)CC
InChi:	InChI=1S/C30H44N2O3/c1-7-29(3,4)23-12-13-27(25(15-23)30(5,6)8-2)35-20-24(33)19-31-16-21-14-22(18-31)26-10-9-11-28(34)32(26)17-21/h9-13,15,21-22,24,33H,7-8,14,16-20H2,1-6H3/t21-,22+,24+/m0/s1
Definition date:	2017-07-24
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one

B0K

B0K
Name:	3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine
Formula:	C10 H9 Br4 N3
SMILES:	NCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12
InChi:	InChI=1S/C10H9Br4N3/c11-5-6(12)8(14)10-9(7(5)13)16-4-17(10)3-1-2-15/h4H,1-3,15H2
Definition date:	2017-09-01
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine

CF6

CF6
Name:	N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:	C48 H54 Cl2 N10 O2 S2
SMILES:	Clc1ccc(cc1)C=2c8c(n7c(C(N=2)CC(=O)NCCCCCCCCCCNC(=O)CC3N=C(c5c(n4c3nnc4C)sc(c5C)C)c6ccc(cc6)Cl)nnc7C)sc(c8C)C
InChi:	InChI=1S/C48H54Cl2N10O2S2/c1-27-29(3)63-47-41(27)43(33-15-19-35(49)20-16-33)53-37(45-57-55-31(5)59(45)47)25-39(61)51-23-13-11-9-7-8-10-12-14-24-52-40(62)26-38-46-58-56-32(6)60(46)48-42(28(2)30(4)64-48)44(54-38)34-17-21-36(50)22-18-34/h15-22,37-38H,7-14,23-26H2,1-6H3,(H,51,61)(H,52,62)/t37-,38-/m0/s1
Definition date:	2018-05-25
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}

DWM

DWM
Name:	(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C28 H28 F N5 O3
SMILES:	n4c(C(Nc1cccc(c1)C(C)O)=O)c3CN(C(c2cccn2)=O)CC(c3n4Cc5ccc(F)cc5)C
InChi:	InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1
Definition date:	2017-11-10
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

E0V

E0V
Name:	4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Formula:	C21 H27 N7 O6 S
SMILES:	C5(O)C(C(C(N1CCN(CC1)c4c3c(c2ccc(nc2s3)NC)nc(NC)n4)OC5C(=O)O)O)O
InChi:	InChI=1S/C21H27N7O6S/c1-22-10-4-3-9-11-16(35-18(9)24-10)17(26-21(23-2)25-11)27-5-7-28(8-6-27)19-14(31)12(29)13(30)15(34-19)20(32)33/h3-4,12-15,19,29-31H,5-8H2,1-2H3,(H,22,24)(H,32,33)(H,23,25,26)/t12-,13-,14+,15-,19+/m0/s1
Definition date:	2017-11-21
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

EUS

EUS
Name:	N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide
Formula:	C20 H39 N5 O9 S
SMILES:	CS(=O)(NC2CC(N)C(OC1OC(=CCC1N)CN)C(C2OC3C(C(C(C)(CO3)O)NC)O)O)=O
InChi:	InChI=1S/C20H39N5O9S/c1-20(28)8-31-19(14(27)17(20)24-2)34-16-12(25-35(3,29)30)6-11(23)15(13(16)26)33-18-10(22)5-4-9(7-21)32-18/h4,10-19,24-28H,5-8,21-23H2,1-3H3/t10-,11+,12-,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1
Definition date:	2018-02-01
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide

8U0

8U0
Name:	N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide
Formula:	C24 H20 N2 O4 S
SMILES:	CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2
InChi:	InChI=1S/C24H20N2O4S/c1-17(27)25-20-9-14-24(15-10-20)31(28,29)26-21-7-12-22(13-8-21)30-23-11-6-18-4-2-3-5-19(18)16-23/h2-16,26H,1H3,(H,25,27)
Definition date:	2017-09-25
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	~{N}-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide

8U3

8U3
Name:	N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide
Formula:	C7 H7 F2 N O2 S
SMILES:	C[S](=O)(=O)Nc1ccc(F)c(F)c1
InChi:	InChI=1S/C7H7F2NO2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
Definition date:	2017-09-26
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	~{N}-[3,4-bis(fluoranyl)phenyl]methanesulfonamide

8U6

8U6
Name:	N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
Formula:	C25 H19 N3 O4 S
SMILES:	CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)c(c2)C#N
InChi:	InChI=1S/C25H19N3O4S/c1-17(29)27-21-7-11-24(12-8-21)33(30,31)28-22-9-13-25(20(14-22)16-26)32-23-10-6-18-4-2-3-5-19(18)15-23/h2-15,28H,1H3,(H,27,29)
Definition date:	2017-09-26
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	~{N}-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide

8U9

8U9
Name:	4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid
Formula:	C21 H12 Cl F3 N2 O5 S
SMILES:	OC(=O)c1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccc(Cl)c(c3)C(F)(F)F)c(c2)C#N
InChi:	InChI=1S/C21H12ClF3N2O5S/c22-18-7-4-15(10-17(18)21(23,24)25)32-19-8-3-14(9-13(19)11-26)27-33(30,31)16-5-1-12(2-6-16)20(28)29/h1-10,27H,(H,28,29)
Definition date:	2017-09-26
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid

F6Q

F6Q
Name:	N,N-pyridylbenzimidazole derivative-Pd complex
Formula:	C15 H15 Cl2 N3 O3 Pd S
SMILES:	O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pd]3(Cl)Cl
InChi:	InChI=1S/C15H15N3O3S.2ClH.Pd/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13
Definition date:	2018-06-04
Last modified:	2018-07-20
Release date:	2018-07-25

F7T

F7T
Name:	alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex
Formula:	C15 H15 Cl2 N3 O3 Pt S
SMILES:	O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl
InChi:	InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13
Definition date:	2018-06-07
Last modified:	2018-07-20
Release date:	2018-07-25

<890 891 892 893 894 895 896897898 899 900 901 902 903 904 905 >

225946

數據於2024-10-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon