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PDB Info pages Status search Chemie search: 53 results BIRD

DW4

DW4
Name:	benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
Formula:	C29 H41 N7 O6
SMILES:	C(OCc1ccccc1)(=O)NC2C(=O)NC(C(NC(CCC(NCCn3cc(C2)nn3)=O)CO)=O)CC4CCCCC4
InChi:	InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/m0/s1
Definition date:	2017-11-09
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate

72R

72R
Name:	5-fluoranyl-1~{H}-indole-2,3-dione
Formula:	C8 H4 F N O2
SMILES:	Fc1ccc2NC(=O)C(=O)c2c1
InChi:	InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
Definition date:	2016-08-18
Last modified:	2018-08-24
Release date:	2018-08-29
Identifier:	5-fluoranyl-1~{H}-indole-2,3-dione

B74

B74
Name:	(3-methylphenyl)methanol
Formula:	C8 H10 O
SMILES:	C(O)c1cc(ccc1)C
InChi:	InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
Definition date:	2017-08-02
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	(3-methylphenyl)methanol

9GY

9GY
Name:	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide
Formula:	C24 H23 N3 O4
SMILES:	CNC(=O)c1cccc(c1)c3cc2N(CC(N(c2cc3)C(=O)C)C)C(=O)c4ccco4
InChi:	InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1
Definition date:	2017-05-10
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide

J0W

J0W
Name:	(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1CCc2cc(O)ccc2[C]1(C)c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid

4M6

4M6
Name:	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
Formula:	C25 H23 N O3
SMILES:	OC(c3n1CCCc2c1c(ccc2)c3CCCOc5c4ccccc4ccc5)=O
InChi:	InChI=1S/C25H23NO3/c27-25(28)24-21(20-12-3-9-18-10-5-15-26(24)23(18)20)13-6-16-29-22-14-4-8-17-7-1-2-11-19(17)22/h1-4,7-9,11-12,14H,5-6,10,13,15-16H2,(H,27,28)
Definition date:	2015-04-15
Last modified:	2015-04-24
Release date:	2015-04-29
Identifier:	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid

U6B

U6B
Name:	4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
Formula:	C22 H24 N4 O2
SMILES:	O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3(N)CCOCC3
InChi:	InChI=1S/C22H24N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,15,20,24H,9-13,25H2,(H,26,27)/b24-15+/t20-/m0/s1
Definition date:	2013-10-31
Last modified:	2014-09-05
Release date:	2014-03-19
Identifier:	4-amino-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]tetrahydro-2H-pyran-4-carboxamide

MYB

MYB
Name:	Decarboxylated Myriocin
Formula:	C20 H39 N O4
SMILES:	O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO
InChi:	InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1
Definition date:	2013-03-22
Last modified:	2014-09-05
Release date:	2013-09-04
Identifier:	(14E,17R,18R,19S)-19-amino-17,18,20-trihydroxyicos-14-en-7-one

WOC

WOC
Name:	2,2-dimethylbutanedioic acid
Formula:	C6 H10 O4
SMILES:	O=C(O)C(C)(C)CC(=O)O
InChi:	InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
Definition date:	2014-07-25
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	2,2-dimethylbutanedioic acid

1VM

1VM
Name:	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Formula:	C20 H17 N7 S
SMILES:	n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(c(c5)C)C
InChi:	InChI=1S/C20H17N7S/c1-10-7-15-16(8-11(10)2)27(18(24-15)19-23-5-6-28-19)12-3-4-13-14(9-12)25-20(22)26-17(13)21/h3-9H,1-2H3,(H4,21,22,25,26)
Definition date:	2013-06-20
Last modified:	2014-02-14
Release date:	2014-02-19
Identifier:	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine

8SP

8SP
Name:	O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine
Formula:	C22 H42 N O10 P
SMILES:	O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC
InChi:	InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1
Definition date:	2013-01-22
Last modified:	2013-02-08
Release date:	2013-02-08
Identifier:	O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine

FDL

FDL
Name:	N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
Formula:	C18 H23 N3 O4
SMILES:	O=C(NCCCCC(N)C(=O)Nc2ccc1c(OC(=O)C=C1C)c2)C
InChi:	InChI=1S/C18H23N3O4/c1-11-9-17(23)25-16-10-13(6-7-14(11)16)21-18(24)15(19)5-3-4-8-20-12(2)22/h6-7,9-10,15H,3-5,8,19H2,1-2H3,(H,20,22)(H,21,24)/t15-/m0/s1
Definition date:	2012-10-11
Last modified:	2012-11-30
Release date:	2012-11-30
Identifier:	N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide

0Y7

0Y7
Name:	{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
Formula:	C23 H25 Cl2 N O4
SMILES:	O=C(O)CC3C(=O)N(C(CO)CC)C(c1ccc(Cl)cc1)C(c2cccc(Cl)c2)C3
InChi:	InChI=1S/C23H25Cl2NO4/c1-2-19(13-27)26-22(14-6-8-17(24)9-7-14)20(15-4-3-5-18(25)10-15)11-16(23(26)30)12-21(28)29/h3-10,16,19-20,22,27H,2,11-13H2,1H3,(H,28,29)/t16-,19+,20-,22-/m1/s1
Definition date:	2012-10-02
Last modified:	2012-10-12
Release date:	2012-10-12
Identifier:	{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid

NNJ

NNJ
Name:	3-(aminomethyl)-1-methylpyridinium
Formula:	C7 H11 N2
SMILES:	NCc1ccc[n+](c1)C
InChi:	InChI=1S/C7H11N2/c1-9-4-2-3-7(5-8)6-9/h2-4,6H,5,8H2,1H3/q+1
Definition date:	2011-03-17
Last modified:	2012-07-17
Identifier:	3-(aminomethyl)-1-methylpyridinium

02B

02B
Name:	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
Formula:	C10 H14 O4 S
SMILES:	O=S(=O)(O)c1c(c(c(OC)cc1C)C)C
InChi:	InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13)
Definition date:	2011-02-25
Last modified:	2012-01-13
Identifier:	4-methoxy-2,3,6-trimethylbenzenesulfonic acid

TCA

TCA
Name:	PHENYLETHYLENECARBOXYLIC ACID
Formula:	C9 H8 O2
SMILES:	O=C(O)C=Cc1ccccc1
InChi:	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2E)-3-phenylprop-2-enoic acid

DHB

DHB
Name:	3,4-DIHYDROXYBENZOIC ACID
Formula:	C7 H6 O4
SMILES:	O=C(O)c1cc(O)c(O)cc1
InChi:	InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3,4-dihydroxybenzoic acid

BEN

BEN
Name:	BENZAMIDINE
Formula:	C7 H8 N2
SMILES:	[N@H]=C(N)c1ccccc1
InChi:	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	benzenecarboximidamide

C2U

C2U
Name:	3,5-dichloro-2-hydroxybenzoic acid
Formula:	C7 H4 Cl2 O3
SMILES:	Clc1cc(Cl)cc(C(=O)O)c1O
InChi:	InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Definition date:	2008-01-31
Last modified:	2011-06-04
Identifier:	3,5-dichloro-2-hydroxybenzoic acid

SE4

SE4
Name:	SELENATE ION
Formula:	O4 Se
SMILES:	[O-][Se]([O-])(=O)=O
InChi:	InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	selenate

HE2

HE2
Name:	HEXAN-1-OL
Formula:	C6 H14 O
SMILES:	OCCCCCC
InChi:	InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Definition date:	2005-05-16
Last modified:	2011-06-04
Identifier:	hexan-1-ol

KI9

KI9
Name:	2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL
Formula:	C12 H4 Cl5 N O
SMILES:	Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3
InChi:	InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H
Definition date:	2010-03-19
Last modified:	2011-06-04
Identifier:	2,3,4,6,8-pentachloro-9H-carbazol-1-ol

34D

34D
Name:	3,5-DIHYDROXYBENZOATE
Formula:	C7 H6 O4
SMILES:	O=C(O)c1cc(O)cc(O)c1
InChi:	InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
Definition date:	2005-07-25
Last modified:	2011-06-04
Identifier:	3,5-dihydroxybenzoic acid

ETF

ETF
Name:	TRIFLUOROETHANOL
Formula:	C2 H3 F3 O
SMILES:	FC(F)(F)CO
InChi:	InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,2,2-trifluoroethanol

MGX

MGX
Name:	1-METHYLGUANIDINE
Formula:	C2 H7 N3
SMILES:	[N@H]=C(N)NC
InChi:	InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
Definition date:	2006-02-10
Last modified:	2011-06-04
Identifier:	1-methylguanidine

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