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PDB Info pages Status search Chemie search: 35611 results BIRD

G4F

G4F
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C16 H24 F N5 O15 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C16H24FN5O15P2/c17-6-4(1-23)35-15(11(27)9(6)25)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1
Definition date:	2018-06-06
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate

GWG

GWG
Name:	1-methylindazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	Cn1nc(C(N)=O)c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-methylindazole-3-carboxamide

GWP

GWP
Name:	2-cyclopropyl-1~{H}-imidazole-4-carboxamide
Formula:	C7 H9 N3 O
SMILES:	NC(=O)c1c[nH]c(n1)C2CC2
InChi:	InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-cyclopropyl-1~{H}-imidazole-4-carboxamide

GWS

GWS
Name:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Formula:	C13 H18 N2 O
SMILES:	O=C(CC1CCCCC1)Nc2cccnc2
InChi:	InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide

GWV

GWV
Name:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Formula:	C12 H20 N2
SMILES:	CC(C)NCc1ccc(cc1)N(C)C
InChi:	InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

GWY

GWY
Name:	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine
Formula:	C10 H14 Cl N3 O
SMILES:	CN(C[CH]1CCOC1)c2ncncc2Cl
InChi:	InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m0/s1
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine

GX4

GX4
Name:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Formula:	C14 H17 F N2 O
SMILES:	Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
InChi:	InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

GX7

GX7
Name:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H15 N3 O2
SMILES:	N1C=C(C(NC1=O)=O)NC2CCCCC2
InChi:	InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

H1V

H1V
Name:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:	C44 H46 Cl2 N10 O4 S2
SMILES:	c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C
InChi:	InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1
Definition date:	2018-06-10
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}

HH4

HH4
Name:	4-(4-tert-butylphenyl)-4-oxobutanoic acid
Formula:	C14 H18 O3
SMILES:	c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C
InChi:	InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)
Definition date:	2018-07-02
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	4-(4-tert-butylphenyl)-4-oxobutanoic acid

W68

W68
Name:	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C18 H24 F N3
SMILES:	Fc2cc(CCc1cc(cc(n1)N)C)cc(c2)CCCNC
InChi:	InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine

W69

W69
Name:	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C19 H26 F N3
SMILES:	Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C
InChi:	InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine

W79

W79
Name:	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
Formula:	C21 H24 N4
SMILES:	Nc1nc(cc(c1)C)CCc2cc(cnc2)c3cccc(c3)CNC
InChi:	InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine

W80

W80
Name:	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
Formula:	C21 H24 N4
SMILES:	Nc1nc(cc(c1)C)CCc2cc(cnc2)c3ccc(CNC)cc3
InChi:	InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine

W82

W82
Name:	6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
Formula:	C22 H24 F N3
SMILES:	c1(nc(cc(c1)C)CCc2cc(cc(c2)F)c3cc(ccc3)CNC)N
InChi:	InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine

7YF

7YF
Name:	(2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide
Formula:	C13 H20 N6 O4
SMILES:	NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1NC(=O)C=C1)C=O
InChi:	InChI=1S/C13H20N6O4/c14-13(15)16-5-1-2-8(7-20)18-11(22)6-17-12(23)9-3-4-10(21)19-9/h3-4,7-9H,1-2,5-6H2,(H,17,23)(H,18,22)(H,19,21)(H4,14,15,16)/t8-,9+/m0/s1
Definition date:	2017-02-14
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	(2~{R})-~{N}-[2-[[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide

7YL

7YL
Name:	(2R)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid
Formula:	C5 H5 N O3
SMILES:	OC(=O)[CH]1NC(=O)C=C1
InChi:	InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m1/s1
Definition date:	2017-02-14
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	(2~{R})-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid

7YR

7YR
Name:	(2R)-N-[2-[[(2S)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide
Formula:	C19 H28 N8 O6
SMILES:	NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1CCC(=O)N1)C(=O)Nc2ccc(cc2)N(O)O
InChi:	InChI=1S/C19H28N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14,32-33H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)/t13-,14+/m0/s1
Definition date:	2017-02-15
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	(2~{R})-~{N}-[2-[[(2~{S})-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

9RO

9RO
Name:	(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
Formula:	C32 H46 O4
SMILES:	CO[CH](CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3)c4ccc(O)cc4
InChi:	InChI=1S/C32H46O4/c1-21(7-5-9-31(36-4)25-12-14-26(33)15-13-25)27-16-17-28-24(8-6-18-32(27,28)3)11-10-23-19-29(34)22(2)30(35)20-23/h10-15,21,27-31,33-35H,2,5-9,16-20H2,1,3-4H3/b24-11+/t21-,27-,28+,29-,30-,31-,32-/m1/s1
Definition date:	2018-07-04
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol

O84

O84
Name:	[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
Formula:	C19 H22 N2 O11 P2
SMILES:	O[P](O)(=O)CC=CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O
InChi:	InChI=1S/C19H22N2O11P2/c22-17-12(5-4-8-33(24,25)26)10-21(18(23)20-17)16-9-14-15(31-16)11-30-19(32-14,34(27,28)29)13-6-2-1-3-7-13/h1-7,10,14-16H,8-9,11H2,(H,20,22,23)(H2,24,25,26)(H2,27,28,29)/b5-4+/t14-,15-,16-,19-/m1/s1
Definition date:	2018-03-23
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid

A4Y

A4Y
Name:	(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
Formula:	C17 H28 N4 O11 P2 S
SMILES:	C(CC3C(N2Cc1cnc(C)nc1NC2(C(O)(C(O)(C(O)=O)C)C)S3)C)OP(O)(=O)OP(O)(O)=O
InChi:	InChI=1S/C17H28N4O11P2S/c1-9-12(5-6-31-34(29,30)32-33(26,27)28)35-17(16(4,25)15(3,24)14(22)23)20-13-11(8-21(9)17)7-18-10(2)19-13/h7,9,12,24-25H,5-6,8H2,1-4H3,(H,22,23)(H,29,30)(H,18,19,20)(H2,26,27,28)/t9-,12+,15+,16-,17-/m0/s1
Definition date:	2017-07-06
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid

A5X

A5X
Name:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Formula:	C14 H24 N4 O10 P3 S
SMILES:	OP(=O)(O)OP(OCCc1c([n+](c(s1)C(P(O)=O)(C)O)Cc2cnc(nc2N)C)C)(O)=O
InChi:	InChI=1S/C14H23N4O10P3S/c1-8-11(4-5-27-31(25,26)28-30(22,23)24)32-13(14(3,19)29(20)21)18(8)7-10-6-16-9(2)17-12(10)15/h6,19,29H,4-5,7H2,1-3H3,(H5-,15,16,17,20,21,22,23,24,25,26)/p+1/t14-/m0/s1
Definition date:	2018-02-19
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

BY7

BY7
Name:	6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C20 H26 F3 N3
SMILES:	FC(F)(F)c1cc(CCCN(C)C)cc(c1)CCc2nc(N)cc(c2)C
InChi:	InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine

BYJ

BYJ
Name:	4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
Formula:	C18 H25 N3
SMILES:	Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC
InChi:	InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine

BYV

BYV
Name:	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
Formula:	C19 H24 N4
SMILES:	N#Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C
InChi:	InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile

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