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

OEP

OEP
Name:	3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
Formula:	C23 H19 N5 O6
SMILES:	c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O)C(=O)NC(=N4)N
InChi:	InChI=1S/C23H19N5O6/c24-23-27-19-18(21(32)28-23)15(10-25-19)7-11-1-3-12(4-2-11)20(31)26-16-8-14(22(33)34)6-5-13(16)9-17(29)30/h1-6,8,10H,7,9H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid

OF4

OF4
Name:	2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid
Formula:	C22 H19 N5 O4
SMILES:	c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc3)N=C(NC4=O)N
InChi:	InChI=1S/C22H19N5O4/c23-22-26-18-17(20(29)27-22)15(11-24-18)9-12-5-7-13(8-6-12)19(28)25-10-14-3-1-2-4-16(14)21(30)31/h1-8,11H,9-10H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid

OF7

OF7
Name:	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
Formula:	C22 H19 N5 O4
SMILES:	N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4ccccc4CC(=O)O)N
InChi:	InChI=1S/C22H19N5O4/c23-22-26-19-18(21(31)27-22)15(11-24-19)9-12-5-7-13(8-6-12)20(30)25-16-4-2-1-3-14(16)10-17(28)29/h1-8,11H,9-10H2,(H,25,30)(H,28,29)(H4,23,24,26,27,31)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid

OFD

OFD
Name:	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid
Formula:	C23 H18 N6 O4
SMILES:	O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4cc(ccc4CC(=O)O)C#N
InChi:	InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid

OFJ

OFJ
Name:	2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
Formula:	C22 H18 N6 O5
SMILES:	c14c(c(cn1)Cc2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O)C(NC(=N4)N)=O
InChi:	InChI=1S/C22H18N6O5/c23-17(29)12-5-6-14(21(32)33)15(8-12)26-19(30)11-3-1-10(2-4-11)7-13-9-25-18-16(13)20(31)28-22(24)27-18/h1-6,8-9H,7H2,(H2,23,29)(H,26,30)(H,32,33)(H4,24,25,27,28,31)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid

OG1

OG1
Name:	2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid
Formula:	C22 H16 N6 O4
SMILES:	c14c(c(cn1)Cc2ccc(cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N4)N
InChi:	InChI=1S/C22H16N6O4/c23-9-12-3-6-15(21(31)32)16(8-12)26-19(29)13-4-1-11(2-5-13)7-14-10-25-18-17(14)20(30)28-22(24)27-18/h1-6,8,10H,7H2,(H,26,29)(H,31,32)(H4,24,25,27,28,30)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid

OG4

OG4
Name:	3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
Formula:	C23 H21 N5 O4
SMILES:	c14c(C(=O)NC(=N1)N)c(Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4
InChi:	InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid

OG7

OG7
Name:	2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
Formula:	C21 H17 N5 O4
SMILES:	c1cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=NC3=O)N)nc4
InChi:	InChI=1S/C21H17N5O4/c22-21-25-17-16(19(28)26-21)13(10-23-17)9-11-5-7-12(8-6-11)18(27)24-15-4-2-1-3-14(15)20(29)30/h1-8,10H,9H2,(H,24,27)(H,29,30)(H4,22,23,25,26,28)
Definition date:	2019-06-24
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid

OVY

OVY
Name:	(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)
Formula:	C11 H20 N2 O9
SMILES:	C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=NO)O)(C)=O
InChi:	InChI=1S/C11H20N2O9/c1-4(15)12-8(10(19)9(18)7(17)3-14)6(16)2-5(13-22)11(20)21/h6-10,14,16-19,22H,2-3H2,1H3,(H,12,15)(H,20,21)/b13-5+/t6-,7+,8+,9+,10+/m0/s1
Definition date:	2019-07-10
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)

KUB

KUB
Name:	4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Formula:	C17 H13 Cl F3 N3 O2 S2
SMILES:	C[CH](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3F
InChi:	InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

LO5

LO5
Name:	1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
Formula:	C13 H17 N O3
SMILES:	C1CO[CH](C1)CNCc2ccc3OCOc3c2
InChi:	InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1
Definition date:	2019-08-28
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine

LOE

LOE
Name:	1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
Formula:	C14 H25 N O2
SMILES:	C1CCN(CC1)C[CH]2COC3(CCCCC3)O2
InChi:	InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1
Definition date:	2019-08-29
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine

LOK

LOK
Name:	methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate
Formula:	C10 H12 N2 O4
SMILES:	COC(=O)Nc1cccc(NC(=O)OC)c1
InChi:	InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
Definition date:	2019-08-29
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate

LOQ

LOQ
Name:	1-(4-methylphenyl)pyrrolidine-2,5-dione
Formula:	C11 H11 N O2
SMILES:	Cc1ccc(cc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
Definition date:	2019-08-30
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	1-(4-methylphenyl)pyrrolidine-2,5-dione

LOT

LOT
Name:	6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
Formula:	C9 H9 N3 O4 S
SMILES:	N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16)
Definition date:	2019-08-30
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide

LOW

LOW
Name:	(5~{S},7~{R})-3-azanyladamantan-1-ol
Formula:	C10 H17 N O
SMILES:	NC12C[CH]3C[CH](C1)CC(O)(C3)C2
InChi:	InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10-
Definition date:	2019-08-30
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(5~{S},7~{R})-3-azanyladamantan-1-ol

LPZ

LPZ
Name:	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
Formula:	C14 H21 N2 O2
SMILES:	C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2
InChi:	InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1
Definition date:	2019-08-30
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

C8O

C8O
Name:	2-(2-azanylethylamino)-5-nitro-benzoic acid
Formula:	C9 H11 N3 O4
SMILES:	NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O
InChi:	InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)
Definition date:	2019-04-15
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	2-(2-azanylethylamino)-5-nitro-benzoic acid

FCZ

FCZ
Name:	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C16 H17 N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14
InChi:	InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

FDH

FDH
Name:	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C15 H14 Cl N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14
InChi:	InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

FDW

FDW
Name:	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:	C15 H16 N8 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc(N)nc14
InChi:	InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

FE5

FE5
Name:	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Formula:	C15 H15 N7 O
SMILES:	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14
InChi:	InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
Definition date:	2018-06-21
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

GJK

GJK
Name:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
Formula:	C11 H12 O3
SMILES:	COc1cc(C=CC(C)=O)ccc1O
InChi:	InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
Definition date:	2018-09-18
Last modified:	2019-09-27
Release date:	2019-10-02
Identifier:	(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one

KYZ

KYZ
Name:	~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
Formula:	C18 H18 N4 O5 S
SMILES:	CN[S](=O)(=O)c1ccc(OC)c(NC(=O)CC2=NNC(=O)c3ccccc23)c1
InChi:	InChI=1S/C18H18N4O5S/c1-19-28(25,26)11-7-8-16(27-2)15(9-11)20-17(23)10-14-12-5-3-4-6-13(12)18(24)22-21-14/h3-9,19H,10H2,1-2H3,(H,20,23)(H,22,24)
Definition date:	2019-07-05
Last modified:	2019-09-20
Release date:	2019-09-25
Identifier:	~{N}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide

KZ8

KZ8
Name:	~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
Formula:	C23 H20 N4 O5 S
SMILES:	COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)Nc4ccccc4
InChi:	InChI=1S/C23H20N4O5S/c1-32-21-12-11-16(33(30,31)27-15-7-3-2-4-8-15)13-20(21)24-22(28)14-19-17-9-5-6-10-18(17)23(29)26-25-19/h2-13,27H,14H2,1H3,(H,24,28)(H,26,29)
Definition date:	2019-07-06
Last modified:	2019-09-20
Release date:	2019-09-25
Identifier:	~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide

<728 729 730 731 732 733 734735736 737 738 739 740 741 742 743 >

223166

數據於2024-07-31公開中

PDB statistics

PDBj update info

Contact PDBj

numon