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EN5

EN5
Name:	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
Formula:	C27 H53 N5 O4
SMILES:	O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCN
InChi:	InChI=1S/C27H53N5O4/c28-18-11-5-3-1-2-4-9-16-25(34)31-24(21-33)27(36)32-23(15-10-12-19-29)26(35)30-20-17-22-13-7-6-8-14-22/h22-24,33H,1-21,28-29H2,(H,30,35)(H,31,34)(H,32,36)/t23-,24-/m0/s1
Definition date:	2013-09-23
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

ENF

ENF
Name:	N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
Formula:	C41 H79 N5 O5
SMILES:	O=C(NCCCC/C=C/CCCC(=O)NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCC/C=C/CCCC
InChi:	InChI=1S/C41H75N5O5/c1-2-3-4-5-6-7-8-9-11-14-20-28-38(48)43-32-24-16-13-10-12-15-21-29-39(49)45-37(34-47)41(51)46-36(27-22-23-31-42)40(50)44-33-30-35-25-18-17-19-26-35/h5-6,10,12,35-37,47H,2-4,7-9,11,13-34,42H2,1H3,(H,43,48)(H,44,50)(H,45,49)(H,46,51)/b6-5+,12-10+/t36-,37-/m0/s1
Definition date:	2013-09-23
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-{(5E)-10-[(9E)-tetradec-9-enoylamino]dec-5-enoyl}-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

BR7

BR7
Name:	Bromomemantine
Formula:	C12 H20 Br N
SMILES:	BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C
InChi:	InChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12-
Definition date:	2014-07-01
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(1r,3s,5R,7S)-3-bromo-5,7-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine

2RU

2RU
Name:	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
Formula:	C17 H22 F3 N3 O2
SMILES:	O=C(N2CCC(NC(=O)Nc1ccc(cc1)C(F)(F)F)CC2)C(C)C
InChi:	InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
Definition date:	2014-01-14
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

2RV

2RV
Name:	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Formula:	C16 H20 F3 N3 O3
SMILES:	O=C(N2CCC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)CC2)CC
InChi:	InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
Definition date:	2014-01-14
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

HYH

HYH
Name:	(2R)-2-hydroxyhexanamide
Formula:	C6 H13 N O2
SMILES:	O=C(N)C(O)CCCC
InChi:	InChI=1S/C6H13NO2/c1-2-3-4-5(8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
Definition date:	2014-09-08
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2R)-2-hydroxyhexanamide

I79

I79
Name:	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid
Formula:	C26 H22 Cl N3 O2 S
SMILES:	O=C(O)Cc3c2ccc(c1cc(N)cc(N)c1)cc2n(c3)Cc4c5cc(Cl)ccc5sc4C
InChi:	InChI=1S/C26H22ClN3O2S/c1-14-23(22-10-18(27)3-5-25(22)33-14)13-30-12-17(9-26(31)32)21-4-2-15(8-24(21)30)16-6-19(28)11-20(29)7-16/h2-8,10-12H,9,13,28-29H2,1H3,(H,31,32)
Definition date:	2011-05-20
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid

IG2

IG2
Name:	(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
Formula:	C6 H11 N2 O6 P
SMILES:	O=P(O)(O)OCC(O)C(O)c1cncn1
InChi:	InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6-/m0/s1
Definition date:	2013-09-25
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate

JJ1

JJ1
Name:	N-[(1S)-1-{[(1S)-5-AMINO-1-[(2-CYCLOHEXYLETHYL)CARBAMOYL]PENTYL]CARBAMOYL}-2-HYDROXYETHYL]-10-HYDROXYDECANAMIDE
Formula:	C27 H52 N4 O5
SMILES:	O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCO
InChi:	InChI=1S/C27H52N4O5/c28-18-11-10-15-23(26(35)29-19-17-22-13-7-6-8-14-22)31-27(36)24(21-33)30-25(34)16-9-4-2-1-3-5-12-20-32/h22-24,32-33H,1-21,28H2,(H,29,35)(H,30,34)(H,31,36)/t23-,24-/m0/s1
Definition date:	2013-09-20
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	N-(10-hydroxydecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide

T0M

T0M
Name:	Thiomersal
Formula:	C9 H10 Hg O2 S
SMILES:	O=C(O)c1ccccc1S[Hg]CC
InChi:	InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10
Definition date:	2012-10-30
Last modified:	2014-09-17
Release date:	2012-12-07
Identifier:	ethyl[2-(sulfanyl-kappaS)benzoato]mercury

QB4

QB4
Name:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
Formula:	C21 H19 F N6 O2
SMILES:	Fc3ccc2C(=O)N(Cc1nn(c(C#N)c1c4cc(OC(c2c3)C)c(nc4)N)C)C
InChi:	InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
Definition date:	2014-01-15
Last modified:	2014-09-14
Release date:	2014-05-28
Identifier:	(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

B4M

B4M
Name:	tris(bromanyl)methane
Formula:	C H Br3
SMILES:	BrC(Br)Br
InChi:	InChI=1S/CHBr3/c2-1(3)4/h1H
Synonyms:	Bromoform
Definition date:	2012-12-11
Last modified:	2014-09-14
Release date:	2013-02-01
Identifier:	tribromomethane

XX8

XX8
Name:	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol
Formula:	C13 H15 N3 O
SMILES:	n1c(N)c(cnc1C)Cc2cccc(c2)CO
InChi:	InChI=1S/C13H15N3O/c1-9-15-7-12(13(14)16-9)6-10-3-2-4-11(5-10)8-17/h2-5,7,17H,6,8H2,1H3,(H2,14,15,16)
Definition date:	2013-10-15
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol

TLL

TLL
Name:	N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
Formula:	C25 H32 N8 O9
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)N=C(NC=3NC2)N)C)CCC(=O)O
InChi:	InChI=1S/C25H32N8O9/c1-33-14(11-28-20-19(33)22(38)32-25(26)31-20)10-27-13-4-2-12(3-5-13)21(37)30-16(24(41)42)6-8-17(34)29-15(23(39)40)7-9-18(35)36/h2-5,14-16,27H,6-11H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,39,40)(H,41,42)(H4,26,28,31,32,38)/t14-,15-,16-/m0/s1
Definition date:	2014-07-31
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid

K97

K97
Name:	3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid
Formula:	C14 H16 N2 O3
SMILES:	O=C(O)c3cc1c(c(cn1)CN2CCOCC2)cc3
InChi:	InChI=1S/C14H16N2O3/c17-14(18)10-1-2-12-11(8-15-13(12)7-10)9-16-3-5-19-6-4-16/h1-2,7-8,15H,3-6,9H2,(H,17,18)
Definition date:	2014-06-30
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid

ON5

ON5
Name:	(Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Formula:	C20 H33 Cl O4
SMILES:	ClC1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:	InChI=1S/C20H33ClO4/c1-2-3-6-9-15(22)12-13-17-16(18(21)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1
Definition date:	2013-09-26
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	(5Z,9beta,11alpha,12alpha,13E,15S)-9-chloro-11,15-dihydroxyprosta-5,13-dien-1-oic acid

2VY

2VY
Name:	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde
Formula:	C12 H13 N3 O S
SMILES:	O=Cc1scc(c1C)Cc2c(nc(nc2)C)N
InChi:	InChI=1S/C12H13N3OS/c1-7-10(6-17-11(7)5-16)3-9-4-14-8(2)15-12(9)13/h4-6H,3H2,1-2H3,(H2,13,14,15)
Definition date:	2014-02-28
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde

33J

33J
Name:	3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
Formula:	C21 H23 N O3 S
SMILES:	O=C4N(c1cc(sc1C(=O)O)c2ccccc2)C(C3CCCCC3)CC4
InChi:	InChI=1S/C21H23NO3S/c23-19-12-11-16(14-7-3-1-4-8-14)22(19)17-13-18(26-20(17)21(24)25)15-9-5-2-6-10-15/h2,5-6,9-10,13-14,16H,1,3-4,7-8,11-12H2,(H,24,25)/t16-/m1/s1
Definition date:	2014-06-09
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid

LWJ

LWJ
Name:	[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
Formula:	C20 H16 N6 O
SMILES:	O=C(c1c(N)n(nc1)c3cc2nc(nc2cc3)C)c5cc4ccccc4n5
InChi:	InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
Definition date:	2013-10-10
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone

MBR

MBR
Name:	TRIBROMOMETHANE
Formula:	C H Br3
SMILES:	BrC(Br)Br
InChi:	InChI=1S/CHBr3/c2-1(3)4/h1H
Definition date:	1999-07-08
Last modified:	2014-09-12
Identifier:	tribromomethane

CFU

CFU
Name:	(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C10 H14 N2 O4 S
SMILES:	O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C
InChi:	InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1
Definition date:	2014-09-05
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	(2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

39K

39K
Name:	N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
Formula:	C23 H27 N O4 S3
SMILES:	O=S(=O)(N(Cc1sc(cc1)c2ccc(cc2)S(=O)(=O)C)CC(C)C)Cc3ccccc3
InChi:	InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Definition date:	2014-07-10
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide

3BQ

3BQ
Name:	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
Formula:	C19 H26 N4 O
SMILES:	O=C(NCCC1(CN)CCCCC1)Nc2ccc3c(c2)ccnc3
InChi:	InChI=1S/C19H26N4O/c20-14-19(7-2-1-3-8-19)9-11-22-18(24)23-17-5-4-16-13-21-10-6-15(16)12-17/h4-6,10,12-13H,1-3,7-9,11,14,20H2,(H2,22,23,24)
Definition date:	2014-07-22
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea

EMT

EMT
Name:	2-(ETHYLMERCURI-THIO)-BENZOIC ACID
Formula:	C9 H10 Hg O2 S
SMILES:	O=C(O)c1ccccc1S[Hg]CC
InChi:	InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10
Definition date:	2001-11-26
Last modified:	2014-09-12
Identifier:	ethyl[2-(sulfanyl-kappaS)benzoato]mercury

26T

26T
Name:	(3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
Formula:	C5 H9 O7 P
SMILES:	O=P(OCC(=O)C(O)C(=O)C)(O)O
InChi:	InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
Definition date:	2014-03-18
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	(3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate

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