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: 35294 results BIRD

7M7

7M7
Name:	4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
Formula:	C24 H17 Br O5 S
SMILES:	Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O
InChi:	InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H
Definition date:	2016-11-16
Last modified:	2017-01-13
Release date:	2017-01-18
Identifier:	4-bromophenyl 1~4~,3~4~-dihydroxy[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-sulfonate

B9F

B9F
Name:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
Formula:	C20 H26 Fe N2 O2 S
SMILES:	[Fe].O[CH](CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C3CCCC3.C4CCCC4
InChi:	InChI=1S/C15H21N2O2S.C5H5.Fe/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
Definition date:	2016-01-18
Last modified:	2017-01-13
Release date:	2017-01-18
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron

60M

60M
Name:	6-(phosphonomethyl)pyridine-2-carboxylic acid
Formula:	C7 H8 N O5 P
SMILES:	OC(=O)c1cccc(C[P](O)(O)=O)n1
InChi:	InChI=1S/C7H8NO5P/c9-7(10)6-3-1-2-5(8-6)4-14(11,12)13/h1-3H,4H2,(H,9,10)(H2,11,12,13)
Definition date:	2016-01-11
Last modified:	2017-01-13
Release date:	2017-01-18
Identifier:	6-(phosphonomethyl)pyridine-2-carboxylic acid

60N

60N
Name:	6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid
Formula:	C7 H8 N O6 P
SMILES:	O[CH](c1cccc(n1)C(O)=O)[P](O)(O)=O
InChi:	InChI=1S/C7H8NO6P/c9-6(10)4-2-1-3-5(8-4)7(11)15(12,13)14/h1-3,7,11H,(H,9,10)(H2,12,13,14)/t7-/m0/s1
Definition date:	2016-01-11
Last modified:	2017-01-13
Release date:	2017-01-18
Identifier:	6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid

ZN0

ZN0
Name:	Triethyltin chloride
Formula:	C6 H15 Cl Sn
SMILES:	CC[Sn](Cl)(CC)CC
InChi:	InChI=1S/3C2H5.ClH.Sn/c3*1-2
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	chloranyl(triethyl)stannane

ZN5

ZN5
Name:	Dimethyltin dibromide
Formula:	C2 H6 Br2 Sn
SMILES:	C[Sn](C)(Br)Br
InChi:	InChI=1S/2CH3.2BrH.Sn/h2*1H3
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	bis(bromanyl)-dimethyl-stannane

ZN6

ZN6
Name:	Diethyltin dichloride
Formula:	C4 H10 Cl2 Sn
SMILES:	CC[Sn](Cl)(Cl)CC
InChi:	InChI=1S/2C2H5.2ClH.Sn/c2*1-2
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	bis(chloranyl)-diethyl-stannane

STM

STM
Name:	methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
Formula:	C25 H22 N4 O7
SMILES:	O=C(c1nc(c(c(c1C)c2cccc(OC)c2O)N)c3nc4C(=O)C(N)=C(C(c4cc3)=O)OC)OC
InChi:	InChI=1S/C25H22N4O7/c1-10-15(11-6-5-7-14(34-2)21(11)30)16(26)20(29-18(10)25(33)36-4)13-9-8-12-19(28-13)23(32)17(27)24(35-3)22(12)31/h5-9,30H,26-27H2,1-4H3
Definition date:	2016-01-14
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate

ZN7

ZN7
Name:	DIETHYLLEAD DIBROMIDE
Formula:	C4 H10 Br2 Pb
SMILES:	CC[Pb](Br)(Br)CC
InChi:	InChI=1S/2C2H5.2BrH.Pb/c2*1-2
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	bis(bromanyl)-diethyl-plumbane

ZN8

ZN8
Name:	Trimethyltin chloride
Formula:	C3 H9 Cl Sn
SMILES:	C[Sn](C)(C)Cl
InChi:	InChI=1S/3CH3.ClH.Sn/h3*1H3
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	chloranyl(trimethyl)stannane

ZN9

ZN9
Name:	Trimethyllead bromide
Formula:	C3 H9 Br Pb
SMILES:	C[Pb](C)(C)Br
InChi:	InChI=1S/3CH3.BrH.Pb/h3*1H3
Definition date:	2016-12-16
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	bromanyl(trimethyl)plumbane

L3B

L3B
Name:	5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione
Formula:	C9 H7 N3 S
SMILES:	S=C1N=NC(=N1)c2ccccc2C
InChi:	InChI=1S/C9H7N3S/c1-6-4-2-3-5-7(6)8-10-9(13)12-11-8/h2-5H,1H3
Definition date:	2015-09-14
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione

JW1

JW1
Name:	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
Formula:	C11 H16 B N O4
SMILES:	c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C
InChi:	InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
Definition date:	2016-09-28
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid

JW3

JW3
Name:	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
Formula:	C12 H12 B N O4
SMILES:	O=C(c1cc(B(O)O)ccc1)NCc2occc2
InChi:	InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
Definition date:	2016-09-28
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid

JW8

JW8
Name:	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
Formula:	C9 H12 B N O4 S
SMILES:	c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O
InChi:	InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
Definition date:	2016-09-28
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid

V69

V69
Name:	(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
Formula:	C23 H43 N3 O5
SMILES:	CCCCCC1CCCCCNC(CCC(NC(C(NC(O1)=O)CC(C)C)=O)CO)=O
InChi:	InChI=1S/C23H43N3O5/c1-4-5-7-10-19-11-8-6-9-14-24-21(28)13-12-18(16-27)25-22(29)20(15-17(2)3)26-23(30)31-19/h17-20,27H,4-16H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t18-,19+,20-/m0/s1
Definition date:	2016-09-30
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione

P6M

P6M
Name:	(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Formula:	C17 H20 F5 N3 S
SMILES:	Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(SC(C3)C)N
InChi:	InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1
Definition date:	2016-09-29
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

P6U

P6U
Name:	(4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Formula:	C16 H18 F5 N3 S
SMILES:	CC1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
InChi:	InChI=1S/C16H18F5N3S/c1-14(4-5-25-13(22)24-14)10-6-9(11(17)7-12(10)18)8-23-15(2-3-15)16(19,20)21/h6-7,23H,2-5,8H2,1H3,(H2,22,24)/t14-/m0/s1
Definition date:	2016-08-23
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

TAJ

TAJ
Name:	taccalonolide AJ
Formula:	C34 H46 O14
SMILES:	C[CH]1C[C]2(O)OC(=O)[C](C)(O)[C]2(C)[CH]3[CH](O)[CH]4[CH]5[CH](O)C(=O)[CH]6C[CH]7O[CH]7[CH](OC(C)=O)[C]6(C)[CH]5[CH](OC(C)=O)[CH](OC(C)=O)[C]4(C)[CH]13
InChi:	InChI=1S/C34H46O14/c1-11-10-34(43)32(7,33(8,42)29(41)48-34)21-18(11)31(6)19(24(21)40)17-20(26(44-12(2)35)28(31)46-14(4)37)30(5)15(22(38)23(17)39)9-16-25(47-16)27(30)45-13(3)36/h11,15-21,23-28,39-40,42-43H,9-10H2,1-8H3/t11-,15-,16+,17+,18+,19-,20-,21+,23-,24-,25+,26+,27+,28+,30+,31-,32+,33-,34+/m1/s1
Definition date:	2015-12-01
Last modified:	2017-01-06
Release date:	2017-01-11

RCJ

RCJ
Name:	(2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
Formula:	C11 H21 N O9
SMILES:	CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C11H21NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5-10,13,15-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,6-,7+,8+,9+,10+/m0/s1
Definition date:	2016-07-26
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid

TUM

TUM
Name:	Tunicamycin
Formula:	C37 H60 N4 O16
SMILES:	[C@H](C(=O)NC1C(OC(C(C1O)O)CC(C2OC(C(O)C2O)N3C(NC(C=C3)=O)=O)O)OC4OC(CO)C(O)C(O)C4NC(C)=O)=CCCCCCCCCC(C)C
InChi:	InChI=1S/C37H60N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h11,13-15,18,20-22,25-36,42,44,47-52H,4-10,12,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53)/t20-,21-,22-,25-,26-,27+,28-,29-,30-,31+,32-,33-,34-,35-,36+/m1/s1
Definition date:	2016-05-03
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-12-methyltridec-2-enamide (non-preferred name)

7C2

7C2
Name:	(6R)-1-aminoundecan-6-yl hydrogen carbonate
Formula:	C12 H25 N O3
SMILES:	CCCCCC(CCCCCN)OC(O)=O
InChi:	InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2016-09-30
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	(6R)-1-aminoundecan-6-yl hydrogen carbonate

7C7

7C7
Name:	N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide
Formula:	C32 H40 N4 O5
SMILES:	C(NC(C(=O)NC(C(=O)NCc1c2c(ccc1)cccc2)COC)CC(N(CC)CC)=O)(=O)CCc3ccccc3
InChi:	InChI=1S/C32H40N4O5/c1-4-36(5-2)30(38)20-27(34-29(37)19-18-23-12-7-6-8-13-23)32(40)35-28(22-41-3)31(39)33-21-25-16-11-15-24-14-9-10-17-26(24)25/h6-17,27-28H,4-5,18-22H2,1-3H3,(H,33,39)(H,34,37)(H,35,40)/t27-,28-/m0/s1
Definition date:	2016-10-03
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide

7CD

7CD
Name:	1-(naphthalen-1-yl)methanamine
Formula:	C11 H11 N
SMILES:	c1ccc(c2c1cccc2)CN
InChi:	InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
Definition date:	2016-10-03
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	1-(naphthalen-1-yl)methanamine

7CU

7CU
Name:	5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide
Formula:	C16 H18 N6 O
SMILES:	c1(ncc(nc1c2cc3c(n2)cccc3)NCC(C)N)C(=O)N
InChi:	InChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1
Definition date:	2016-10-05
Last modified:	2017-01-06
Release date:	2017-01-11
Identifier:	5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide

<957 958 959 960 961 962 963964965 966 967 968 969 970 971 972 >

223166

PDB entries from 2024-07-31

PDB statistics

PDBj update info

Contact PDBj

numon