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

6RF

6RF
Name:	4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
Formula:	C27 H25 F N8 O
SMILES:	C[CH](Nc1ncnc(N)c1C#N)c2nc3ccc(F)cc3c(C(=O)N4CCNCC4)c2c5ccccc5
InChi:	InChI=1S/C27H25FN8O/c1-16(34-26-20(14-29)25(30)32-15-33-26)24-22(17-5-3-2-4-6-17)23(27(37)36-11-9-31-10-12-36)19-13-18(28)7-8-21(19)35-24/h2-8,13,15-16,31H,9-12H2,1H3,(H3,30,32,33,34)/t16-/m0/s1
Definition date:	2016-06-02
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile

8JH

8JH
Name:	~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
Formula:	C19 H33 N4 O5 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCCN
InChi:	InChI=1S/C19H33N4O5P/c1-15(2)12-17(18(24)21-11-7-6-10-20)23-29(26,27)14-22-19(25)28-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14,20H2,1-2H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1
Definition date:	2017-02-08
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid

8JQ

8JQ
Name:	~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
Formula:	C17 H29 N4 O5 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCN
InChi:	InChI=1S/C17H29N4O5P/c1-13(2)10-15(16(22)19-9-8-18)21-27(24,25)12-20-17(23)26-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12,18H2,1-2H3,(H,19,22)(H,20,23)(H2,21,24,25)/t15-/m0/s1
Definition date:	2017-02-08
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid

8KK

8KK
Name:	~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
Formula:	C18 H31 N4 O5 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN
InChi:	InChI=1S/C18H31N4O5P/c1-14(2)11-16(17(23)20-10-6-9-19)22-28(25,26)13-21-18(24)27-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,23)(H,21,24)(H2,22,25,26)/t16-/m0/s1
Definition date:	2017-02-09
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid

8KN

8KN
Name:	(2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid
Formula:	C20 H33 N4 O7 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCN)C(O)=O
InChi:	InChI=1S/C20H33N4O7P/c1-14(2)11-17(18(25)23-16(19(26)27)9-6-10-21)24-32(29,30)13-22-20(28)31-12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17-/m0/s1
Definition date:	2017-02-09
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	(2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid

8L2

8L2
Name:	(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
Formula:	C18 H29 N4 O7 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C(O)=O
InChi:	InChI=1S/C18H29N4O7P/c1-12(2)8-14(16(23)21-15(9-19)17(24)25)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1
Definition date:	2017-02-09
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid

8LB

8LB
Name:	(2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid
Formula:	C21 H35 N4 O7 P
SMILES:	CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(O)=O
InChi:	InChI=1S/C21H35N4O7P/c1-15(2)12-18(19(26)24-17(20(27)28)10-6-7-11-22)25-33(30,31)14-23-21(29)32-13-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,22H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1
Definition date:	2017-02-09
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	(2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid

8NG

8NG
Name:	N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
Formula:	C22 H19 F2 N3 O4 S
SMILES:	c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)C4=CN(C)C(c3c4ccn3)=O
InChi:	InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide

8NM

8NM
Name:	N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide
Formula:	C21 H19 N3 O4 S
SMILES:	c1cc(c(cc1NS(C)(=O)=O)C3=CN(C)C(c2c3ccn2)=O)Oc4ccccc4
InChi:	InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide

8NS

8NS
Name:	7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one
Formula:	C21 H23 N3 O3 S
SMILES:	n4c5c3C(c1c(ccc(c1)S(CC)(=O)=O)N(CC2CC2)Cc3c4)=CN(C)C5=O
InChi:	InChI=1S/C21H23N3O3S/c1-3-28(26,27)15-6-7-18-16(8-15)17-12-23(2)21(25)20-19(17)14(9-22-20)11-24(18)10-13-4-5-13/h6-9,12-13,22H,3-5,10-11H2,1-2H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one

8NV

8NV
Name:	7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one
Formula:	C22 H25 N3 O3 S
SMILES:	c5c3c4c(C(N(C)C=C4c1c(ccc(c1)S(C(C)C)(=O)=O)N(CC2CC2)C3)=O)n5
InChi:	InChI=1S/C22H25N3O3S/c1-13(2)29(27,28)16-6-7-19-17(8-16)18-12-24(3)22(26)21-20(18)15(9-23-21)11-25(19)10-14-4-5-14/h6-9,12-14,23H,4-5,10-11H2,1-3H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one

8O1

8O1
Name:	4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
Formula:	C20 H23 N3 O3 S
SMILES:	c1c(c(ccc1S(CC)(=O)=O)NCC2CC2)C=3c4c(C(N(C=3)C)=O)ncc4
InChi:	InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one

8O4

8O4
Name:	7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one
Formula:	C21 H23 N3 O3 S
SMILES:	c5c3c4c(C(N(C=C4c1cc(CS(C)(=O)=O)ccc1N(CC2CC2)C3)C)=O)n5
InChi:	InChI=1S/C21H23N3O3S/c1-23-11-17-16-7-14(12-28(2,26)27)5-6-18(16)24(9-13-3-4-13)10-15-8-22-20(19(15)17)21(23)25/h5-8,11,13,22H,3-4,9-10,12H2,1-2H3
Definition date:	2017-02-22
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one

8R5

8R5
Name:	3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
Formula:	C17 H15 Cl N2 O4
SMILES:	C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccccn3
InChi:	InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid

8R8

8R8
Name:	3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
Formula:	C17 H15 Cl N2 O5
SMILES:	C[CH](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3
InChi:	InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid

8RB

8RB
Name:	3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
Formula:	C17 H16 Cl N3 O4
SMILES:	C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3
InChi:	InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid

8RK

8RK
Name:	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
Formula:	C11 H10 Cl N O4
SMILES:	Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl
InChi:	InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
Definition date:	2017-02-28
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid

ANV

ANV
Name:	1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
Formula:	C15 H16 N4 O3 S
SMILES:	N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2
InChi:	InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10,20-21H,11,16H2
Definition date:	2016-07-19
Last modified:	2017-06-16
Release date:	2017-06-21
Identifier:	1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole

ZPF

ZPF
Name:	N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
Formula:	C9 H15 N O6
SMILES:	C2(C(C1(COC(O1)C2NC(=O)C)CO)O)O
InChi:	InChI=1S/C9H15NO6/c1-4(12)10-5-6(13)7(14)9(2-11)3-15-8(5)16-9/h5-8,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6-,7-,8+,9+/m1/s1
Definition date:	2016-05-06
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (non-preferred name)

KS2

KS2
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C15 H19 N3 O5
SMILES:	Cc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C15H19N3O5/c1-7-2-4-8(5-3-7)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)23-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1
Definition date:	2016-08-19
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

Q46

Q46
Name:	Fe4 H S5
Formula:	Fe4 H S5
SMILES:	S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
InChi:	InChI=1S/4Fe.H2S.4S/h
Definition date:	2016-12-06
Last modified:	2017-06-09
Release date:	2017-06-14

87G

87G
Name:	N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
Formula:	C22 H19 F2 N3 O4 S
SMILES:	c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)c4cn(C)c3c4C=CNC3=O
InChi:	InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)21-15(17)8-9-25-22(21)28/h4-12,26H,3H2,1-2H3,(H,25,28)
Definition date:	2017-01-10
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide

87M

87M
Name:	N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
Formula:	C21 H20 N4 O4 S
SMILES:	c1cc(c(cc1NS(CC)(=O)=O)c3c2C=NNC(c2c(n3)C)=O)Oc4ccccc4
InChi:	InChI=1S/C21H20N4O4S/c1-3-30(27,28)25-14-9-10-18(29-15-7-5-4-6-8-15)16(11-14)20-17-12-22-24-21(26)19(17)13(2)23-20/h4-12,23,25H,3H2,1-2H3,(H,24,26)
Definition date:	2017-01-11
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	N-[3-(7-methyl-1-oxo-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide

87P

87P
Name:	N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
Formula:	C22 H22 N2 O4 S
SMILES:	c1cc(c(cc1NS(C)(=O)=O)c2nc(c3c2CCCC3=O)C)Oc4ccccc4
InChi:	InChI=1S/C22H22N2O4S/c1-14-21-17(9-6-10-19(21)25)22(23-14)18-13-15(24-29(2,26)27)11-12-20(18)28-16-7-4-3-5-8-16/h3-5,7-8,11-13,23-24H,6,9-10H2,1-2H3
Definition date:	2017-01-11
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide

87V

87V
Name:	2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
Formula:	C12 H12 N2 O
SMILES:	c1c(cccc1)c2cc(C(=O)N)c(C)n2
InChi:	InChI=1S/C12H12N2O/c1-8-10(12(13)15)7-11(14-8)9-5-3-2-4-6-9/h2-7,14H,1H3,(H2,13,15)
Definition date:	2017-01-11
Last modified:	2017-06-09
Release date:	2017-06-14
Identifier:	2-methyl-5-phenyl-1H-pyrrole-3-carboxamide

<922 923 924 925 926 927 928929930 931 932 933 934 935 936 937 >

223166

數據於2024-07-31公開中

PDB statistics

PDBj update info

Contact PDBj

numon