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: 45071 results BIRD

4FV

4FV
Name:	4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
Formula:	C8 H12 N4 O3
SMILES:	c1(c(non1)N)C(=O)NC2CCC(C2)O
InChi:	InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide

4FX

4FX
Name:	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
Formula:	C14 H15 N3 O2
SMILES:	c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
InChi:	InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide

4G0

4G0
Name:	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
Formula:	C15 H18 N4 O
SMILES:	c1cc(cc(c1)N(C)C)CNc2ccc(cn2)C(=O)N
InChi:	InChI=1S/C15H18N4O/c1-19(2)13-5-3-4-11(8-13)9-17-14-7-6-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide

4G1

4G1
Name:	N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Formula:	C22 H23 N3 O3
SMILES:	c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O
InChi:	InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide

4G3

4G3
Name:	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
Formula:	C13 H13 N3 O2
SMILES:	c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N
InChi:	InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide

4G4

4G4
Name:	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
Formula:	C15 H18 N4 O
SMILES:	c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C
InChi:	InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide

4GM

4GM
Name:	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
Formula:	C13 H13 N3 O2
SMILES:	c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O
InChi:	InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide

4GN

4GN
Name:	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
Formula:	C12 H17 N3 O
SMILES:	c1c(cnc(c1)NCC2CCCC2)C(N)=O
InChi:	InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide

4GO

4GO
Name:	6-(cyclopentylamino)pyridine-3-carboxamide
Formula:	C11 H15 N3 O
SMILES:	c1c(cnc(c1)NC2CCCC2)C(=O)N
InChi:	InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
Definition date:	2015-03-17
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-(cyclopentylamino)pyridine-3-carboxamide

4GS

4GS
Name:	4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
Formula:	C8 H13 N5 O2
SMILES:	c1(c(non1)N)C(=O)NC2CCNCC2
InChi:	InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide

4GT

4GT
Name:	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
Formula:	C10 H15 N5 O
SMILES:	c1c(C(N)=O)c(nc(n1)NC2CCCC2)N
InChi:	InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15)
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide

4GX

4GX
Name:	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
Formula:	C13 H16 N6 O2
SMILES:	n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N
InChi:	InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17)
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

4GY

4GY
Name:	4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
Formula:	C10 H16 N4 O2
SMILES:	Nc1nonc1C(=O)NCC2CCCCC2
InChi:	InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide

4H1

4H1
Name:	6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
Formula:	C14 H22 N4 O
SMILES:	c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O
InChi:	InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide

4H3

4H3
Name:	6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
Formula:	C12 H17 N3 O3
SMILES:	c1c(cnc(c1)NC2CC(C(C2)O)CO)C(N)=O
InChi:	InChI=1S/C12H17N3O3/c13-12(18)7-1-2-11(14-5-7)15-9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H2,13,18)(H,14,15)/t8-,9-,10+/m1/s1
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide

4H4

4H4
Name:	4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
Formula:	C12 H13 N5 O4 S
SMILES:	c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O
InChi:	InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1
Definition date:	2015-03-18
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide

4H6

4H6
Name:	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
Formula:	C17 H20 N4 O2
SMILES:	c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3
InChi:	InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20)
Definition date:	2015-03-19
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide

4H7

4H7
Name:	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
Formula:	C18 H23 N5 O
SMILES:	c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C
InChi:	InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21)
Definition date:	2015-03-19
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide

4H8

4H8
Name:	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
Formula:	C10 H17 N5 O
SMILES:	CC(CNc1ncc(C(N)=O)c(n1)N)(C)C
InChi:	InChI=1S/C10H17N5O/c1-10(2,3)5-14-9-13-4-6(8(12)16)7(11)15-9/h4H,5H2,1-3H3,(H2,12,16)(H3,11,13,14,15)
Definition date:	2015-03-19
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide

4H9

4H9
Name:	(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
Formula:	C10 H10 N4 O2
SMILES:	c2cc(C(n1ncnc1N)=O)ccc2OC
InChi:	InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-10(11)12-6-13-14/h2-6H,1H3,(H2,11,12,13)
Definition date:	2015-03-19
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	(5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone

4HQ

4HQ
Name:	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
Formula:	C8 H13 N5 O2
SMILES:	N2(C(c1c(non1)N)=O)CCN(CC2)C
InChi:	InChI=1S/C8H13N5O2/c1-12-2-4-13(5-3-12)8(14)6-7(9)11-15-10-6/h2-5H2,1H3,(H2,9,11)
Definition date:	2015-03-19
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone

Z47

Z47
Name:	(2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL
Formula:	C19 H24 O5
SMILES:	OC[CH]1O[CH](CCCc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C19H24O5/c20-11-16-18(22)19(23)17(21)15(24-16)10-4-8-13-7-3-6-12-5-1-2-9-14(12)13/h1-3,5-7,9,15-23H,4,8,10-11H2/t15-,16+,17+,18-,19+/m0/s1
Definition date:	2015-08-10
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(3-naphthalen-1-ylpropyl)oxane-3,4,5-triol

VVA

VVA
Name:	2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
Formula:	C21 H44 N O6 P
SMILES:	O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)
Definition date:	2016-02-01
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate

VNY

VNY
Name:	PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
Formula:	C21 H24 O5
SMILES:	CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3
InChi:	InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1
Definition date:	2015-07-27
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-2-(4-phenylphenyl)prop-1-enyl]oxane-3,4,5-triol

UV4

UV4
Name:	3-(benzoylamino)-N-oxobenzamide
Formula:	C14 H10 N2 O3
SMILES:	c1ccc(C(=O)N=O)cc1NC(=O)c2ccccc2
InChi:	InChI=1S/C14H10N2O3/c17-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(18)16-19/h1-9H,(H,15,17)
Definition date:	2016-01-26
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	3-(benzoylamino)-N-oxobenzamide

<1245 1246 1247 1248 1249 1250 125112521253 1254 1255 1256 1257 1258 1259 1260 >

233605

PDB entries from 2025-03-26

PDB statistics

PDBj update info

Contact PDBj

numon