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: 36426 results BIRD

J7L

J7L
Name:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide
Formula:	C15 H15 Cl N6 O
SMILES:	CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1
InChi:	InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide

J9B

J9B
Name:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine
Formula:	C13 H11 Cl2 N5
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12
InChi:	InChI=1S/C13H11Cl2N5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine

JA0

JA0
Name:	9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine
Formula:	C13 H11 Cl F N5
SMILES:	CNc1nc(F)nc2n(Cc3cccc(Cl)c3)cnc12
InChi:	InChI=1S/C13H11ClFN5/c1-16-11-10-12(19-13(15)18-11)20(7-17-10)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine

U7F

U7F
Name:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid
Formula:	C13 H17 F3 N O4 P
SMILES:	CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O
InChi:	InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1
Definition date:	2023-01-27
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid

JBD

JBD
Name:	~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Formula:	C14 H14 Cl2 N6 O2 S
SMILES:	CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S](C)(=O)=O)cnc12
InChi:	InChI=1S/C14H14Cl2N6O2S/c1-17-12-11-13(20-14(16)19-12)22(7-18-11)6-8-5-9(15)3-4-10(8)21-25(2,23)24/h3-5,7,21H,6H2,1-2H3,(H,17,19,20)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide

FKX

FKX
Name:	3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
Formula:	C12 H14 N2 O3
SMILES:	O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1
InChi:	InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16)
Definition date:	2023-07-20
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid

K1O

K1O
Name:	2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine
Formula:	C14 H12 Cl N9
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)c4[nH]nnn4)cnc12
InChi:	InChI=1S/C14H12ClN9/c1-16-12-10-13(19-14(15)18-12)24(7-17-10)6-8-3-2-4-9(5-8)11-20-22-23-21-11/h2-5,7H,6H2,1H3,(H,16,18,19)(H,20,21,22,23)
Definition date:	2023-08-10
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-[[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine

LN3

LN3
Name:	(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid
Formula:	C40 H52 N6 O17 S
SMILES:	OC(=O)C[CH](NC(=O)[CH](CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCCCCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc2)C(O)=O)C(O)=O
InChi:	InChI=1S/C40H52N6O17S/c47-29(42-25(18-32(50)51)36(58)43-26(19-33(52)53)37(59)44-27(39(62)63)20-34(54)55)10-8-6-4-2-1-3-5-7-9-17-46(22-35(56)57)31(49)16-15-30(48)45-40-41-21-28(64-40)23-11-13-24(14-12-23)38(60)61/h11-14,21,25-27H,1-10,15-20,22H2,(H,42,47)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,41,45,48)/t25-,26-,27-/m0/s1
Definition date:	2023-08-21
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid

I9V

I9V
Name:	2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid
Formula:	C14 H16 Cl N5 O4 S
SMILES:	CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O
InChi:	InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19)
Synonyms:	UK-371804
Definition date:	2022-06-20
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid

KKO

KKO
Name:	(2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C23 H22 Cl2 N4 O3 S
SMILES:	COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4
InChi:	InChI=1S/C23H22Cl2N4O3S/c1-32-21-6-7-26-13-17(21)23(31)28-8-9-29(15-4-5-18(24)19(25)11-15)20(14-28)22(30)27-12-16-3-2-10-33-16/h2-7,10-11,13,20H,8-9,12,14H2,1H3,(H,27,30)/t20-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	(2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

AV0

AV0
Name:	Lauryl Maltose Neopentyl Glycol
Formula:	C47 H88 O22
SMILES:	C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O
InChi:	InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
Synonyms:	2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
Definition date:	2018-11-21
Last modified:	2023-12-01
Release date:	2019-03-27
Identifier:	2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

JHU

JHU
Name:	[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Formula:	C14 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(Cc3ccc(CO)cc3)cnc12
InChi:	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol

JIB

JIB
Name:	4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid
Formula:	C14 H12 Cl N5 O2
SMILES:	CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12
InChi:	InChI=1S/C14H12ClN5O2/c1-16-11-10-12(19-14(15)18-11)20(7-17-10)6-8-2-4-9(5-3-8)13(21)22/h2-5,7H,6H2,1H3,(H,21,22)(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid

JII

JII
Name:	2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine
Formula:	C14 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12
InChi:	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-4-3-5-10(6-9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine

JIR

JIR
Name:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile
Formula:	C14 H11 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12
InChi:	InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20)
Definition date:	2023-08-07
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile

JNC

JNC
Name:	5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C13 H11 Cl2 N5
SMILES:	CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12
InChi:	InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)
Definition date:	2023-08-08
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

JO0

JO0
Name:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine
Formula:	C15 H15 Cl2 N5
SMILES:	Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1
InChi:	InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21)
Definition date:	2023-08-08
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine

IU2

IU2
Name:	2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine
Formula:	C12 H10 Cl N5
SMILES:	CNc1nc(Cl)nc2n(cnc12)c3ccccc3
InChi:	InChI=1S/C12H10ClN5/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,17)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine

IUA

IUA
Name:	2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine
Formula:	C13 H12 Cl N5
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3)cnc12
InChi:	InChI=1S/C13H12ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine

IUH

IUH
Name:	2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine
Formula:	C12 H11 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3ccncc3)cnc12
InChi:	InChI=1S/C12H11ClN6/c1-14-10-9-11(18-12(13)17-10)19(7-16-9)6-8-2-4-15-5-3-8/h2-5,7H,6H2,1H3,(H,14,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-(pyridin-4-ylmethyl)purin-6-amine

IUQ

IUQ
Name:	2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine
Formula:	C11 H14 Cl N5 O
SMILES:	CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3
InChi:	InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine

IUZ

IUZ
Name:	2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine
Formula:	C13 H18 Cl N5
SMILES:	CNc1nc(Cl)nc2n(CC3CCCCC3)cnc12
InChi:	InChI=1S/C13H18ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine

IV6

IV6
Name:	3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid
Formula:	C13 H10 Cl N5 O2
SMILES:	CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O
InChi:	InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid

IVI

IVI
Name:	2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide
Formula:	C14 H13 Cl N6 O
SMILES:	CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12
InChi:	InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide

IVR

IVR
Name:	9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Formula:	C13 H13 Cl N6
SMILES:	CNc1nc(Cl)nc2n(Cc3ccccc3N)cnc12
InChi:	InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19)
Definition date:	2023-08-03
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine

<52 53 54 55 56 57 585960 61 62 63 64 65 66 67 >

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon