Chemie Search results for query - Protein Data Bank Japan

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: 36535 results BIRD

ZA9

ZA9
Name:	4-[(3S)-piperidin-3-yl]-1H-indole
Formula:	C13 H16 N2
SMILES:	c1c[NH]c2cccc(c12)C1CCCNC1
InChi:	InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-[(3S)-piperidin-3-yl]-1H-indole

XQU

XQU
Name:	nitrosochloramphenicol
Formula:	C11 H14 Cl2 N2 O4
SMILES:	ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
InChi:	InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
Synonyms:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

PQI

PQI
Name:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
Formula:	C23 H25 Cl N4 O2
SMILES:	CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45
InChi:	InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1
Definition date:	2022-10-04
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one

ZBH

ZBH
Name:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:	C10 H14 N2 O S
SMILES:	CNC(=O)C1CCCc2sc(C)nc21
InChi:	InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

OIT

OIT
Name:	~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Formula:	C20 H21 Cl2 N3 O2
SMILES:	NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
InChi:	InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26)
Synonyms:	Tafamidis derivative
Definition date:	2022-09-08
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide

OJF

OJF
Name:	[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Formula:	C73 H131 N7 O12 S
SMILES:	CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O
InChi:	InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1
Definition date:	2022-09-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

ZE9

ZE9
Name:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
Formula:	C14 H16 N2 O3
SMILES:	CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1
InChi:	InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one

ZEK

ZEK
Name:	3-acetamido-N-methylbenzamide
Formula:	C10 H12 N2 O2
SMILES:	O=C(C)Nc1cc(ccc1)C(=O)NC
InChi:	InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-acetamido-N-methylbenzamide

ZFI

ZFI
Name:	N-[2-(methanesulfonyl)phenyl]acetamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(C)(=O)c1ccccc1NC(C)=O
InChi:	InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[2-(methanesulfonyl)phenyl]acetamide

OU9

OU9
Name:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
Formula:	C23 H46 N O7 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN
InChi:	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1
Definition date:	2022-09-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate

QGT

QGT
Name:	~{N}-tridecylmethanethioamide
Formula:	C14 H29 N S
SMILES:	CCCCCCCCCCCCCNC=S
InChi:	InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16)
Synonyms:	Tetradecyl-1-isothiocyanate (reacted form)
Definition date:	2020-06-16
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	~{N}-tridecylmethanethioamide

7WT

7WT
Name:	Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid
Formula:	C23 H34 O5
SMILES:	O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2
InChi:	InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1
Synonyms:	7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid
Definition date:	2023-03-13
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid

JN0

JN0
Name:	3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Glycyrrhisoflavone
Definition date:	2022-08-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

JU3

JU3
Name:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Licoisoflavone A
Definition date:	2022-08-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

TW6

TW6
Name:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C27 H28 N2 O3
SMILES:	CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1
Definition date:	2022-07-28
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

K3C

K3C
Name:	2-phenylcyclohexa-2,5-diene-1,4-dione
Formula:	C12 H8 O2
SMILES:	O=C1C=CC(=O)C(=C1)c2ccccc2
InChi:	InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
Definition date:	2022-09-06
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2-phenylcyclohexa-2,5-diene-1,4-dione

YDB

YDB
Name:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C9 H12 B N7 O5 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:	InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:	2023-01-25
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid

NE0

NE0
Name:	[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C9 H16 N2 O18 P4
SMILES:	O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

ZI3

ZI3
Name:	N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
Formula:	C22 H23 Cl N2 O3
SMILES:	O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
InChi:	InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
Definition date:	2023-06-23
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

NE4

NE4
Name:	(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid
Formula:	C20 H30 O2
SMILES:	C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4
InChi:	InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
Synonyms:	ent-kaurenoic acid
Definition date:	2019-05-14
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid

ZI8

ZI8
Name:	N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
Formula:	C20 H21 Cl N2 O3
SMILES:	O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)N1CCC(O)C1
InChi:	InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(12-26-13-20)22-19(25)14-1-7-17(8-2-14)23-10-9-18(24)11-23/h1-8,18,24H,9-13H2,(H,22,25)/t18-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide

XGG

XGG
Name:	(2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid
Formula:	C21 H20 N2 O3 S
SMILES:	CCC1(CC1)COc1ccc(cn1)c1csc(n1)c1ccccc1C(=O)O
InChi:	InChI=1S/C21H20N2O3S/c1-2-21(9-10-21)13-26-18-8-7-14(11-22-18)17-12-27-19(23-17)15-5-3-4-6-16(15)20(24)25/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,25)
Definition date:	2022-11-15
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid

XGT

XGT
Name:	(2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid
Formula:	C17 H13 N O2 S
SMILES:	O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1
InChi:	InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)
Definition date:	2022-11-16
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid

ZK8

ZK8
Name:	hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid
Formula:	C16 H21 N2 O4 P
SMILES:	CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O
InChi:	InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21)
Definition date:	2023-06-27
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid

W3N

W3N
Name:	1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione
Formula:	C22 H18 N6 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5
InChi:	InChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-[(1~{S})-1-[3-(1~{H}-imidazol-4-yl)phenyl]ethyl]-5-(1~{H}-indazol-7-yl)pyrimidine-2,4-dione

<135 136 137 138 139 140 141142143 144 145 146 147 148 149 150 >

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon