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: 39836 results BIRD

KJ5

KJ5
Name:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C8 H7 F4 N O2 S
SMILES:	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)
Definition date:	2019-05-22
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

CZX

CZX
Name:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:	C13 H16 N2
SMILES:	C[CH](c1c[nH]cn1)c2cccc(C)c2C
InChi:	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

D60

D60
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H18 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(CCC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H18F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2,4,6-12H,3,5H2,1H3,(H,26,27)(H,31,32)
Definition date:	2019-07-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid

EHC

EHC
Name:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
Formula:	C21 H16 Cl N O3
SMILES:	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
InChi:	InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid

EHU

EHU
Name:	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
Formula:	C20 H17 Cl N2 O2
SMILES:	CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3
InChi:	InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid

KMQ

KMQ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C19 H29 N5 O14 P2
SMILES:	CC=CCO[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O
InChi:	InChI=1S/C19H29N5O14P2/c1-2-3-4-33-15-13(26)10(37-19(15)28)6-35-40(31,32)38-39(29,30)34-5-9-12(25)14(27)18(36-9)24-8-23-11-16(20)21-7-22-17(11)24/h2-3,7-10,12-15,18-19,25-28H,4-6H2,1H3,(H,29,30)(H,31,32)(H2,20,21,22)/b3-2+/t9-,10-,12-,13-,14-,15-,18-,19+/m1/s1
Definition date:	2019-06-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

OS8

OS8
Name:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:	C24 H30 N4 O3
SMILES:	COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

OSN

OSN
Name:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:	C25 H31 N3 O2
SMILES:	COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

OSQ

OSQ
Name:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
Formula:	C22 H24 F2 N4 O2
SMILES:	C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34
InChi:	InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide

OU2

OU2
Name:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:	C30 H38 N6 O3
SMILES:	CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2
InChi:	InChI=1S/C30H38N6O3/c1-2-32-30(39)26(18-15-21-9-5-3-6-10-21)35-28(37)23-16-13-22(14-17-23)19-33-29(38)25-20-34-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,2-3,5-6,9-10,15,18-19,31H2,1H3,(H,32,39)(H,33,38)(H,35,37)/t26-/m0/s1
Definition date:	2020-04-05
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

M0J

M0J
Name:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea
Formula:	C10 H14 N2 O2
SMILES:	N(C(=O)NCC(O)C)c1ccccc1
InChi:	InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea

M4H

M4H
Name:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
Formula:	C19 H19 N3 O4
SMILES:	OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
InChi:	InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

QBM

QBM
Name:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
Formula:	C7 H11 N3 O S
SMILES:	CCCSc1nnc(c(O)n1)C
InChi:	InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol

QBP

QBP
Name:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
Formula:	C8 H5 F3 N4
SMILES:	C(F)(F)(c2ccc(c1nnnn1)cc2)F
InChi:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole

QBS

QBS
Name:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
Formula:	C10 H8 Cl N O
SMILES:	CC(C(c1ccc(cc1)Cl)C#N)=O
InChi:	InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3/t10-/m1/s1
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile

QF1

QF1
Name:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H17 Br Cl N3 O5 S2
SMILES:	CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O
InChi:	InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3
Definition date:	2019-10-21
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide

QKP

QKP
Name:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula:	C27 H34 N2 O6
SMILES:	c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C
InChi:	InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
Definition date:	2019-11-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one

QZ1

QZ1
Name:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
Formula:	C19 H22 F N O2
SMILES:	c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
InChi:	InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
Definition date:	2020-01-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid

Q1Y

Q1Y
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Formula:	C28 H27 F N4 O4
SMILES:	c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6
InChi:	InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1
Definition date:	2019-09-06
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide

Q8D

Q8D
Name:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Formula:	C13 H15 N3 O2
SMILES:	c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
InChi:	InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid

Q8G

Q8G
Name:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Formula:	C14 H16 N2 O2
SMILES:	c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
InChi:	InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid

Q8M

Q8M
Name:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C14 H15 Br Cl N3 O3 S
SMILES:	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChi:	InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

S6V

S6V
Name:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula:	C13 H17 N3 O2
SMILES:	O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:	InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
Definition date:	2020-03-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MU7

MU7
Name:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:	C20 H19 I N2 O4
SMILES:	Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:	InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2019-04-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide

<729 730 731 732 733 734 735736737 738 739 740 741 742 743 744 >

222624

건을2024-07-17부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon