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: 43993 results BIRD

SIU

SIU
Name:	(2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid
Formula:	C23 H27 N O3
SMILES:	C[CH]([CH](NC(=O)Cc1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H27NO3/c1-15-7-10-19(11-8-15)22(16(2)23(26)27)24-21(25)14-17-9-12-18-5-3-4-6-20(18)13-17/h7-13,16,22H,3-6,14H2,1-2H3,(H,24,25)(H,26,27)/t16-,22+/m1/s1
Definition date:	2023-04-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid

D1E

D1E
Name:	(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol
Formula:	C26 H28 F2 N4 O2
SMILES:	Fc1cncc(OC)c1c1cccc(c1)C1(CC)c2c[NH]nc2NC=2C(F)C(C)(C)CC(O)C=21
InChi:	InChI=1S/C26H28F2N4O2/c1-5-26(15-8-6-7-14(9-15)20-17(27)12-29-13-19(20)34-4)16-11-30-32-24(16)31-22-21(26)18(33)10-25(2,3)23(22)28/h6-9,11-13,18,23,33H,5,10H2,1-4H3,(H2,30,31,32)/t18-,23+,26+/m1/s1
Definition date:	2021-11-24
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol

SUX

SUX
Name:	(3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Formula:	C21 H23 N5 O
SMILES:	C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1
InChi:	InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

SW6

SW6
Name:	2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate
Formula:	C16 H22 N3 O5 P S
SMILES:	CCC(=O)c1sc(CCO[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N
InChi:	InChI=1S/C16H22N3O5PS/c1-4-13(20)15-12(7-11-8-18-10(3)19-16(11)17)9(2)14(26-15)5-6-24-25(21,22)23/h8H,4-7H2,1-3H3,(H2,17,18,19)(H2,21,22,23)
Definition date:	2022-12-19
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate

T6I

T6I
Name:	(2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:	C23 H26 F N O3
SMILES:	C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1
Definition date:	2023-04-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid

T85

T85
Name:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 I N2 O
SMILES:	Ic1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11IN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Definition date:	2022-12-22
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TB3

TB3
Name:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:	C10 H7 Br Cl N O3
SMILES:	Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1
InChi:	InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid

TK6

TK6
Name:	(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid
Formula:	C14 H18 O2
SMILES:	O=C(O)Cc1cc2CCCCCCc2cc1
InChi:	InChI=1S/C14H18O2/c15-14(16)10-11-7-8-12-5-3-1-2-4-6-13(12)9-11/h7-9H,1-6,10H2,(H,15,16)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid

TQO

TQO
Name:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid
Formula:	C20 H28 O4
SMILES:	O=C(O)CC1CCC2(CC1Cc1ccccc1)OCC(C)(C)CO2
InChi:	InChI=1S/C20H28O4/c1-19(2)13-23-20(24-14-19)9-8-16(11-18(21)22)17(12-20)10-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid

DVU

DVU
Name:	~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide
Formula:	C31 H31 Cl N6 O4
SMILES:	Cn1nc2C(=O)N(CC3(O)CCN(CC3)Cc4ccc(cc4Cl)c5occc5)C=Nc2c1c6ccc(CNC=O)cc6
InChi:	InChI=1S/C31H31ClN6O4/c1-36-29(22-6-4-21(5-7-22)16-33-20-39)27-28(35-36)30(40)38(19-34-27)18-31(41)10-12-37(13-11-31)17-24-9-8-23(15-25(24)32)26-3-2-14-42-26/h2-9,14-15,19-20,41H,10-13,16-18H2,1H3,(H,33,39)
Definition date:	2022-04-16
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	~{N}-[[4-[6-[[1-[[2-chloranyl-4-(furan-2-yl)phenyl]methyl]-4-oxidanyl-piperidin-4-yl]methyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methyl]methanamide

E8Y

E8Y
Name:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

ED0

ED0
Name:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:	C16 H12 F3 N3
SMILES:	FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N
InChi:	InChI=1S/C16H12F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-7,21H,8-9H2
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile

EFI

EFI
Name:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h2,4-5,7,11,14-15,21H,1,3,6,8-9H2/t11-,14+,15-/m1/s1
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

EGK

EGK
Name:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

EX6

EX6
Name:	3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid
Formula:	C27 H28 Cl2 N2 O4
SMILES:	Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2ccc(cc2N)C(=O)O)C1c1ccccc1
InChi:	InChI=1S/C27H28Cl2N2O4/c28-21-11-20(12-22(29)14-21)25(16-32)35-24-7-4-10-31(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)30/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16,30H2,(H,33,34)/t24-,25+,26-/m0/s1
Definition date:	2021-12-14
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid

EXZ

EXZ
Name:	4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid
Formula:	C28 H29 Cl2 N O4
SMILES:	Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2ccc(cc2C)C(=O)O)C1c1ccccc1
InChi:	InChI=1S/C28H29Cl2NO4/c1-18-12-20(28(33)34)9-10-21(18)16-31-11-5-8-25(27(31)19-6-3-2-4-7-19)35-26(17-32)22-13-23(29)15-24(30)14-22/h2-4,6-7,9-10,12-15,25-27,32H,5,8,11,16-17H2,1H3,(H,33,34)/t25-,26+,27-/m0/s1
Definition date:	2021-12-14
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid

EZJ

EZJ
Name:	(2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol
Formula:	C27 H27 Cl2 N3 O2
SMILES:	Clc1cc(cc(Cl)c1)C(CO)OC1CCCN(Cc2[NH]c3ccccc3n2)C1c1ccccc1
InChi:	InChI=1S/C27H27Cl2N3O2/c28-20-13-19(14-21(29)15-20)25(17-33)34-24-11-6-12-32(27(24)18-7-2-1-3-8-18)16-26-30-22-9-4-5-10-23(22)31-26/h1-5,7-10,13-15,24-25,27,33H,6,11-12,16-17H2,(H,30,31)/t24-,25-,27-/m0/s1
Definition date:	2021-12-14
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol

GFS

GFS
Name:	2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid
Formula:	C24 H16 O3 S2
SMILES:	O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1csc2ccccc21
InChi:	InChI=1S/C24H16O3S2/c25-22(15-8-1-2-9-16(15)24(26)27)21-17-10-4-6-12-20(17)29-23(21)18-13-28-19-11-5-3-7-14(18)19/h1-13,21,23H,(H,26,27)/t21-,23-/m1/s1
Definition date:	2023-04-27
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid

IAH

IAH
Name:	3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1H-pyridin-2-one
Formula:	C23 H25 N O4
SMILES:	C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)c4ccc(O)cc4
InChi:	InChI=1S/C23H25NO4/c1-13-6-7-14-4-2-3-5-17(14)19(13)22(27)20-21(26)18(12-24-23(20)28)15-8-10-16(25)11-9-15/h6-14,17,19,25H,2-5H2,1H3,(H2,24,26,28)/t13-,14+,17-,19-/m1/s1
Definition date:	2022-06-23
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[[(1~{R},2~{R},4~{a}~{S},8~{a}~{R})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1~{H}-pyridin-2-one

IIM

IIM
Name:	4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine
Formula:	C21 H16 F N3 O S
SMILES:	C[S](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
InChi:	InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m0/s1
Definition date:	2022-03-22
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1~{H}-imidazol-5-yl]pyridine

IKQ

IKQ
Name:	(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one
Formula:	C19 H22 O3
SMILES:	O=C1C=C(O)CC(/C=C/C2CCCCC2c2ccccc2)O1
InChi:	InChI=1S/C19H22O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,15,17-18,20H,4-5,8-9,12H2/b11-10+/t15-,17+,18-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one

IOV

IOV
Name:	(1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C17 H22 N2 O6 S
SMILES:	O=C(Nc1sc(c(C)c1C(=O)OCC)C(N)=O)C1CCCCC1C(=O)O
InChi:	InChI=1S/C17H22N2O6S/c1-3-25-17(24)11-8(2)12(13(18)20)26-15(11)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/t9-,10+/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

IQH

IQH
Name:	2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
Formula:	C12 H10 Cl N O2 S
SMILES:	O=C(O)c1csc(CCc2cc(Cl)ccc2)n1
InChi:	InChI=1S/C12H10ClNO2S/c13-9-3-1-2-8(6-9)4-5-11-14-10(7-17-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid

IUT

IUT
Name:	(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid
Formula:	C22 H23 N O2
SMILES:	O=C(O)C1CCC(CC1)c1c2ccccc2n(C)c1c1ccccc1
InChi:	InChI=1S/C22H23NO2/c1-23-19-10-6-5-9-18(19)20(21(23)16-7-3-2-4-8-16)15-11-13-17(14-12-15)22(24)25/h2-10,15,17H,11-14H2,1H3,(H,24,25)/t15-,17+
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid

IWI

IWI
Name:	2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
Formula:	C11 H8 Cl N O2 S
SMILES:	O=C(O)c1csc(Cc2cc(Cl)ccc2)n1
InChi:	InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

<207 208 209 210 211 212 213214215 216 217 218 219 220 221 222 >

224931

건을2024-09-11부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon