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6R4

6R4
Name:	methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate
Formula:	C15 H18 N4 O7 S
SMILES:	CCCOC1=NN(C(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)C(=O)N1C
InChi:	InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
Synonyms:	Propoxycarbazone
Definition date:	2016-05-27
Last modified:	2020-06-17
Release date:	2017-02-08
Identifier:	methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate

6R6

6R6
Name:	5-nitroanthranilic acid
Formula:	C7 H6 N2 O4
SMILES:	Nc1ccc(cc1C(O)=O)[N+]([O-])=O
InChi:	InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
Synonyms:	2-azanyl-5-nitro-benzoic acid
Definition date:	2016-05-31
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	2-azanyl-5-nitro-benzoic acid

6R7

6R7
Name:	5-nitrosalicylic acid
Formula:	C7 H5 N O5
SMILES:	OC(=O)c1cc(ccc1O)[N+]([O-])=O
InChi:	InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
Synonyms:	5-nitro-2-oxidanyl-benzoic acid
Definition date:	2016-05-31
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	5-nitro-2-oxidanyl-benzoic acid

HJX

HJX
Name:	2-hydroxy-6-(tetradecyloxy)benzoic acid
Formula:	C21 H34 O4
SMILES:	O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC
InChi:	InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24)
Synonyms:	BPH-981
Definition date:	2011-06-17
Last modified:	2020-06-17
Release date:	2019-02-27
Identifier:	2-hydroxy-6-(tetradecyloxy)benzoic acid

6RL

6RL
Name:	2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
Formula:	C18 H20 F N5 O2
SMILES:	CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O
InChi:	InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
Synonyms:	SYR-472
Definition date:	2016-06-06
Last modified:	2020-06-17
Release date:	2016-07-13
Identifier:	2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

6RP

6RP
Name:	bis(pyrzol-1-yl)acetate scorpionate
Formula:	C8 H8 N4 O2
SMILES:	OC(=O)C(n1cccn1)n2cccn2
InChi:	InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14)
Synonyms:	BPZ
Definition date:	2016-06-08
Last modified:	2020-06-17
Release date:	2017-02-22
Identifier:	2,2-di(pyrazol-1-yl)ethanoic acid

HKG

HKG
Name:	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
Formula:	C25 H25 N7 O2 S2
SMILES:	c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O
InChi:	InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31)
Synonyms:	AR453588
Definition date:	2018-07-09
Last modified:	2020-06-17
Release date:	2019-07-10
Identifier:	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one

HKT

HKT
Name:	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine
Formula:	C17 H16 F N3 O2 S
SMILES:	CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3
InChi:	InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
Synonyms:	Vonoprazan
Definition date:	2017-10-20
Last modified:	2020-06-17
Release date:	2018-04-11
Identifier:	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine

6SB

6SB
Name:	Taurodeoxycholate
Formula:	C26 H45 N O6 S
SMILES:	C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
InChi:	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
Synonyms:	2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6 ,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Definition date:	2016-06-14
Last modified:	2020-06-17
Release date:	2016-07-20
Identifier:	2-[[(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid

HL4

HL4
Name:	N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
Formula:	C8 H13 N O3
SMILES:	O=C1OCCC1NC(=O)CCC
InChi:	InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
Synonyms:	N-butyryl-L-homoserine lactone
Definition date:	2010-09-06
Last modified:	2020-06-17
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide

HL6

HL6
Name:	N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Formula:	C10 H17 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCC
InChi:	InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
Synonyms:	N-hexanoyl-L-homoserine lactone
Definition date:	2011-02-15
Last modified:	2020-06-17
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide

6SY

6SY
Name:	Uridine-3',5'-cyclic monophosphate
Formula:	C9 H11 N2 O8 P
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1N3C=CC(=O)NC3=O
InChi:	InChI=1S/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)/t4-,6-,7-,8-/m1/s1
Synonyms:	cUMP
Definition date:	2016-06-16
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	1-[(4~{a}~{R},6~{R},7~{R},7~{a}~{S})-2,7-bis(oxidanyl)-2-oxidanylidene-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione

6T1

6T1
Name:	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
Formula:	C30 H34 Cl2 N4 O2
SMILES:	Clc1ccc(CCN2CC(C2)Oc3ccccc3c4cc(ccn4)C(=O)NCCCN5CCCC5)cc1Cl
InChi:	InChI=1S/C30H34Cl2N4O2/c31-26-9-8-22(18-27(26)32)11-17-36-20-24(21-36)38-29-7-2-1-6-25(29)28-19-23(10-13-33-28)30(37)34-12-5-16-35-14-3-4-15-35/h1-2,6-10,13,18-19,24H,3-5,11-12,14-17,20-21H2,(H,34,37)
Synonyms:	AZ13450370
Definition date:	2016-06-21
Last modified:	2020-06-17
Release date:	2016-12-07
Identifier:	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

6T2

6T2
Name:	1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
Formula:	C26 H29 N5 O2
SMILES:	CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4
InChi:	InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
Synonyms:	Crenolanib
Definition date:	2016-06-17
Last modified:	2020-06-17
Release date:	2017-11-29
Identifier:	1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine

HMO

HMO
Name:	4'-HYDROXY-7-METHOXYISOFLAVONE
Formula:	C16 H12 O4
SMILES:	O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3
InChi:	InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
Synonyms:	ISOFORMONONETIN
Definition date:	2000-10-10
Last modified:	2020-06-17
Identifier:	3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

HMX

HMX
Name:	3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
Formula:	C12 H18 Cl N7 O
SMILES:	NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2
InChi:	InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
Synonyms:	HMA
Definition date:	2018-02-15
Last modified:	2020-06-17
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide

6UB

6UB
Name:	amlodipine
Formula:	C20 H25 Cl N2 O5
SMILES:	CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C
InChi:	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
Synonyms:	~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Definition date:	2016-06-27
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

HN5

HN5
Name:	(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
Formula:	C20 H31 N O3
SMILES:	OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C
InChi:	InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1
Synonyms:	(1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
Definition date:	2008-09-25
Last modified:	2020-06-17
Identifier:	(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol

HN7

HN7
Name:	1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
Formula:	C20 H29 N O4
SMILES:	O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3
InChi:	InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1
Synonyms:	(1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
Definition date:	2008-09-25
Last modified:	2020-06-17
Identifier:	1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone

6UR

6UR
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]p hosphonamidic acid
Formula:	C20 H24 N7 O6 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCCc4c[nH]c5ccccc45)[CH](O)[CH]3O
InChi:	InChI=1S/C20H24N7O6P/c21-18-15-19(24-9-23-18)27(10-25-15)20-17(29)16(28)14(33-20)8-32-34(30,31)26-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,28-29H,5-6,8H2,(H2,21,23,24)(H2,26,30,31)/t14-,16-,17-,20-/m1/s1
Synonyms:	TpAd
Definition date:	2016-06-28
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid

HNG

HNG
Name:	2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C7 H9 N5 O
SMILES:	N2=C(Nc1ncc(c1C2=O)CN)N
InChi:	InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
Synonyms:	PreQ1
Definition date:	2018-07-12
Last modified:	2020-06-17
Release date:	2019-04-10
Identifier:	2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

6UT

6UT
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Formula:	C22 H27 N8 O8 P
SMILES:	CNC(=O)[CH](Cc1c[nH]c2ccccc12)N[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=Nc45)N
InChi:	InChI=1S/C22H27N8O8P/c1-24-19(33)13(6-10-7-25-12-5-3-2-4-11(10)12)29-39(35,36)37-8-14-16(31)17(32)21(38-14)30-9-26-15-18(30)27-22(23)28-20(15)34/h2-5,7,9,13-14,16-17,21,25,31-32H,6,8H2,1H3,(H,24,33)(H2,29,35,36)(H3,23,27,28,34)/t13-,14+,16+,17+,21+/m0/s1
Synonyms:	L-Trp-G
Definition date:	2016-06-28
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid

HNH

HNH
Name:	5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol
Formula:	C10 H12 N2 O
SMILES:	n2cc(C1=CCCN1C)ccc2O
InChi:	InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)
Synonyms:	6-hydroxy-N-Methyl-myosmine
Definition date:	2010-06-29
Last modified:	2020-06-17
Identifier:	5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol

6UZ

6UZ
Name:	omega-undecylenyl-beta-D-maltopyranoside
Formula:	C23 H42 O11
SMILES:	OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
Synonyms:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl )-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol
Definition date:	2016-06-29
Last modified:	2020-06-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-undec-10-enoxy-oxan-3-yl]oxy-oxane-3,4,5-triol

HNQ

HNQ
Name:	5-nitroquinolin-8-ol
Formula:	C9 H6 N2 O3
SMILES:	[O-][N+](=O)c1ccc(O)c2ncccc12
InChi:	InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
Synonyms:	NITROXOLINE
Definition date:	2010-05-26
Last modified:	2020-06-17
Identifier:	5-nitroquinolin-8-ol

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