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QYA

QYA
Name:	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
Formula:	C12 H12 N4 O5 S
SMILES:	C1=CC(NC(N1CC(Nc2ccc(cc2)S(N)(=O)=O)=O)=O)=O
InChi:	InChI=1S/C12H12N4O5S/c13-22(20,21)9-3-1-8(2-4-9)14-11(18)7-16-6-5-10(17)15-12(16)19/h1-6H,7H2,(H,14,18)(H2,13,20,21)(H,15,17,19)
Definition date:	2020-01-15
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide

HWH

HWH
Name:	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Formula:	C12 H13 F N2 O
SMILES:	CC(=O)NCCc1c[nH]c2ccc(F)cc12
InChi:	InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
Definition date:	2019-01-01
Last modified:	2020-03-03
Release date:	2020-01-08
Identifier:	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide

YZM

YZM
Name:	N-carbamoylbenzamide
Formula:	C8 H8 N2 O2
SMILES:	O=C(NC(=O)N)c1ccccc1
InChi:	InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
Definition date:	2012-12-18
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	N-carbamoylbenzamide

KXW

KXW
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
Formula:	C22 H31 N9 O5
SMILES:	N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O
InChi:	InChI=1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid

KY2

KY2
Name:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
Formula:	C17 H30 N10 O3
SMILES:	NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C17H30N10O3/c18-3-1-5-26(6-2-4-22-17(20)21)7-10-12(28)13(29)16(30-10)27-9-25-11-14(19)23-8-24-15(11)27/h8-10,12-13,16,28-29H,1-7,18H2,(H2,19,23,24)(H4,20,21,22)/t10-,12-,13-,16-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine

KY5

KY5
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C21 H31 N9 O3
SMILES:	NCCCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KY8

KY8
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C20 H30 N10 O3
SMILES:	NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KYB

KYB
Name:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
Formula:	C19 H34 N10 O3
SMILES:	NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C19H34N10O3/c20-5-4-8-28(7-3-1-2-6-24-19(22)23)9-12-14(30)15(31)18(32-12)29-11-27-13-16(21)25-10-26-17(13)29/h10-12,14-15,18,30-31H,1-9,20H2,(H2,21,25,26)(H4,22,23,24)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine

KYE

KYE
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H34 N10 O5
SMILES:	N[CH](CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid

KYH

KYH
Name:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
Formula:	C18 H32 N10 O3
SMILES:	NCCCN(CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C18H32N10O3/c19-4-3-7-27(6-2-1-5-23-18(21)22)8-11-13(29)14(30)17(31-11)28-10-26-12-15(20)24-9-25-16(12)28/h9-11,13-14,17,29-30H,1-8,19H2,(H2,20,24,25)(H4,21,22,23)/t11-,13-,14-,17-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine

E79

E79
Name:	(3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid
Formula:	C6 H11 N O5
SMILES:	C[CH](CC(O)=O)N[CH](O)C(O)=O
InChi:	InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5-/m1/s1
Definition date:	2019-11-06
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(3~{R})-3-[[(1~{R})-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid

KJE

KJE
Name:	18-carboxymethoxy-cleaviminium
Formula:	C21 H25 N2 O2
SMILES:	CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:	InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
Definition date:	2019-05-22
Last modified:	2020-02-28
Release date:	2020-03-04

M0Q

M0Q
Name:	~{N}-methyl-1,6-naphthyridin-4-amine
Formula:	C9 H9 N3
SMILES:	CNc1ccnc2ccncc12
InChi:	InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-1,6-naphthyridin-4-amine

M0W

M0W
Name:	~{N}-methylquinazolin-4-amine
Formula:	C9 H9 N3
SMILES:	CNc1ncnc2ccccc12
InChi:	InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methylquinazolin-4-amine

M1E

M1E
Name:	~{N}-methylthieno[3,2-d]pyrimidin-4-amine
Formula:	C7 H7 N3 S
SMILES:	CNc1ncnc2ccsc12
InChi:	InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methylthieno[3,2-d]pyrimidin-4-amine

M1H

M1H
Name:	~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
Formula:	C10 H14 N2
SMILES:	CNc1ccnc2CCCCc12
InChi:	InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine

M1Q

M1Q
Name:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
Formula:	C8 H10 N2 O2
SMILES:	O=C1NC(=O)[CH]2CCCCC2=N1
InChi:	InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione

M1Z

M1Z
Name:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
Formula:	C8 H11 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)N2CCCC2
InChi:	InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione

M3E

M3E
Name:	6-phenyl-1~{H}-pyrimidine-2,4-dione
Formula:	C10 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)c2ccccc2
InChi:	InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-phenyl-1~{H}-pyrimidine-2,4-dione

M3H

M3H
Name:	2-phenyl-4,5-dihydro-1~{H}-imidazole
Formula:	C9 H10 N2
SMILES:	C1CN=C(N1)c2ccccc2
InChi:	InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	2-phenyl-4,5-dihydro-1~{H}-imidazole

M3Z

M3Z
Name:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C13 H15 N3 O2
SMILES:	CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2
InChi:	InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M45

M45
Name:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
Formula:	C6 H11 N5
SMILES:	C1CN[CH](C1)Nc2[nH]ncn2
InChi:	InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine

M4B

M4B
Name:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
Formula:	C11 H9 N3 O3
SMILES:	CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one

M4E

M4E
Name:	~{N}-methyl-2~{H}-indazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	CNC(=O)c1n[nH]c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-1~{H}-indazole-3-carboxamide

M4K

M4K
Name:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C15 H17 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3
InChi:	InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

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