Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 35267 results BIRD

KMC

KMC
Name:	galangin
Formula:	C15 H10 O5
SMILES:	Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O
InChi:	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
Synonyms:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one

KML

KML
Name:	pinocembrin
Formula:	C15 H12 O4
SMILES:	Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3
InChi:	InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Synonyms:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-20
Identifier:	(2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one

KMU

KMU
Name:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
Formula:	C22 H19 Cl N2 O2
SMILES:	NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
InChi:	InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide

KNE

KNE
Name:	[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
Formula:	C15 H14 Cl N O
SMILES:	NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3
InChi:	InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-08-17
Identifier:	[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine

KNR

KNR
Name:	1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
Formula:	C30 H49 N9 O5
SMILES:	CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c2
InChi:	InChI=1S/C30H49N9O5/c1-2-3-11-22-27(42)34-15-7-5-13-23(39-30(32)33)28(43)36-19-26(41)35-18-21-10-8-9-20(16-21)17-25(40)37-24(29(44)38-22)12-4-6-14-31/h8-10,16,22-24H,2-7,11-15,17-19,31H2,1H3,(H,34,42)(H,35,41)(H,36,43)(H,37,40)(H,38,44)(H4,32,33,39)/t22-,23+,24-/m0/s1
Definition date:	2022-05-31
Last modified:	2022-08-22
Release date:	2022-07-13
Identifier:	1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine

88C

88C
Name:	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea
Formula:	C27 H28 Cl N7 O3 S
SMILES:	CCN(CC)[S](=O)(=O)c1cc(Nc2nccc(n2)c3ccnc(c3)c4ccc(NC(=O)NC)cc4)ccc1Cl
InChi:	InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
Definition date:	2021-10-06
Last modified:	2022-08-22
Release date:	2021-12-01
Identifier:	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea

88I

88I
Name:	(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one
Formula:	C37 H68 O6
SMILES:	CCCCCCCCCC[CH](O)[CH]1CC[CH](O1)[CH]2CC[CH](O2)[CH](O)CCCCCCCCCCCC[CH]3C[CH](C)OC3=O
InChi:	InChI=1S/C37H68O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h29-36,38-39H,3-28H2,1-2H3/t29-,30-,31+,32+,33+,34+,35+,36+/m0/s1
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	(3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one

88T

88T
Name:	(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione
Formula:	C22 H32 N6 O9
SMILES:	O=C1C[N]2CC[N](CC[N]3CC[N](CC2)CC(=O)OOC(C3)=NCCN4C(=O)CCC4=O)CC(=O)OO1
InChi:	InChI=1S/C22H32N6O9/c29-18-1-2-19(30)28(18)4-3-23-17-13-24-5-7-25(14-20(31)35-34-17)9-11-27-12-10-26(8-6-24)15-21(32)36-37-22(33)16-27/h1-16H2/b23-17-
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-08-24
Identifier:	(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione

89H

89H
Name:	6-(cyclopropylmethoxy)phthalazine-1,4-dione
Formula:	C12 H10 N2 O3
SMILES:	O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
InChi:	InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-(cyclopropylmethoxy)phthalazine-1,4-dione

89Q

89Q
Name:	4-(cyclopropylmethoxy)benzamide
Formula:	C11 H13 N O2
SMILES:	NC(=O)c1ccc(OCC2CC2)cc1
InChi:	InChI=1S/C11H13NO2/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,12,13)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(cyclopropylmethoxy)benzamide

89Z

89Z
Name:	6-(cyclopentylmethoxy)phthalazine-1,4-dione
Formula:	C14 H14 N2 O3
SMILES:	O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12
InChi:	InChI=1S/C14H14N2O3/c17-13-11-6-5-10(7-12(11)14(18)16-15-13)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-(cyclopentylmethoxy)phthalazine-1,4-dione

8A8

8A8
Name:	6-(cyclohexylmethoxy)phthalazine-1,4-dione
Formula:	C15 H16 N2 O3
SMILES:	O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12
InChi:	InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-(cyclohexylmethoxy)phthalazine-1,4-dione

8AE

8AE
Name:	4-(cyclobutylmethoxy)benzamide
Formula:	C12 H15 N O2
SMILES:	NC(=O)c1ccc(OCC2CCC2)cc1
InChi:	InChI=1S/C12H15NO2/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h4-7,9H,1-3,8H2,(H2,13,14)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(cyclobutylmethoxy)benzamide

8AQ

8AQ
Name:	4-(cyclohexylmethoxy)-2-methoxy-benzamide
Formula:	C15 H21 N O3
SMILES:	COc1cc(OCC2CCCCC2)ccc1C(N)=O
InChi:	InChI=1S/C15H21NO3/c1-18-14-9-12(7-8-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,17)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(cyclohexylmethoxy)-2-methoxy-benzamide

KQU

KQU
Name:	4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m1/s1
Synonyms:	4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{R})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

8B5

8B5
Name:	6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione
Formula:	C15 H9 Br N2 O3
SMILES:	Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1
InChi:	InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione

KR6

KR6
Name:	4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
Formula:	C13 H21 N O3 S Se2
SMILES:	CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1
Definition date:	2022-06-06
Last modified:	2022-08-22
Release date:	2022-06-22
Identifier:	4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide

8BE

8BE
Name:	4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide
Formula:	C15 H14 Br N O3
SMILES:	COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O
InChi:	InChI=1S/C15H14BrNO3/c1-19-14-8-12(5-6-13(14)15(17)18)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide

8BK

8BK
Name:	4-(1,3-thiazol-5-ylmethoxy)benzamide
Formula:	C11 H10 N2 O2 S
SMILES:	NC(=O)c1ccc(OCc2scnc2)cc1
InChi:	InChI=1S/C11H10N2O2S/c12-11(14)8-1-3-9(4-2-8)15-6-10-5-13-7-16-10/h1-5,7H,6H2,(H2,12,14)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(1,3-thiazol-5-ylmethoxy)benzamide

8BW

8BW
Name:	6-(cyclobutylmethoxy)phthalazine-1,4-dione
Formula:	C13 H12 N2 O3
SMILES:	O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12
InChi:	InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-(cyclobutylmethoxy)phthalazine-1,4-dione

8C7

8C7
Name:	4-(cyclohexylmethoxy)benzamide
Formula:	C14 H19 N O2
SMILES:	NC(=O)c1ccc(OCC2CCCCC2)cc1
InChi:	InChI=1S/C14H19NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,15,16)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(cyclohexylmethoxy)benzamide

8CI

8CI
Name:	4-(cyclopentylmethoxy)benzamide
Formula:	C13 H17 N O2
SMILES:	NC(=O)c1ccc(OCC2CCCC2)cc1
InChi:	InChI=1S/C13H17NO2/c14-13(15)11-5-7-12(8-6-11)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,14,15)
Definition date:	2021-10-07
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	4-(cyclopentylmethoxy)benzamide

8D2

8D2
Name:	6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione
Formula:	C15 H9 F N2 O3
SMILES:	Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2
InChi:	InChI=1S/C15H9FN2O3/c16-13-4-2-1-3-9(13)8-21-10-5-6-11-12(7-10)15(20)18-17-14(11)19/h1-7H,8H2
Definition date:	2021-10-08
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione

8DB

8DB
Name:	6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione
Formula:	C13 H8 N2 O3 S
SMILES:	O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12
InChi:	InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2
Definition date:	2021-10-08
Last modified:	2022-08-22
Release date:	2022-05-11
Identifier:	6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione

H0O

H0O
Name:	~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide
Formula:	C22 H23 N5 O
SMILES:	CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc4n[nH]cc34
InChi:	InChI=1S/C22H23N5O/c1-5-20(28)24-16-7-9-17(10-8-16)27-15(4)22(14(3)26-27)21-13(2)6-11-19-18(21)12-23-25-19/h6-12H,5H2,1-4H3,(H,23,25)(H,24,28)
Definition date:	2022-02-07
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide

<263 264 265 266 267 268 269270271 272 273 274 275 276 277 278 >

222926

건을2024-07-24부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon