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PDB Info pages Status search Chemie search: 39836 results BIRD

LDC

LDC
Name:	4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:	C9 H13 N3 O4
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
InChi:	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
Synonyms:	L-2'-DEOXYCYTIDINE
Definition date:	2006-10-26
Last modified:	2020-06-17
Identifier:	4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one

LDM

LDM
Name:	3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE
Formula:	C17 H36 N2 O2
SMILES:	[O-][N+](C)(CCCNC(=O)CCCCCCCCCCC)C
InChi:	InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)
Synonyms:	[3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM
Definition date:	2003-07-21
Last modified:	2020-06-17
Identifier:	N-[3-(dimethylnitroryl)propyl]dodecanamide

LDP

LDP
Name:	L-DOPAMINE
Formula:	C8 H11 N O2
SMILES:	Oc1ccc(cc1O)CCN
InChi:	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
Synonyms:	DOPAMINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-(2-aminoethyl)benzene-1,2-diol

6ET

6ET
Name:	capsazepine
Formula:	C19 H21 Cl N2 O2 S
SMILES:	c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O
InChi:	InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
Synonyms:	N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide
Definition date:	2016-03-23
Last modified:	2020-06-17
Release date:	2016-05-25
Identifier:	N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide

LE2

LE2
Name:	N-(2-phenylethyl)thioformamide
Formula:	C9 H11 N S
SMILES:	S=CNCCc1ccccc1
InChi:	InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
Synonyms:	Phenylethyl isothiocyanate, bound form
Definition date:	2011-07-08
Last modified:	2020-06-17
Identifier:	N-(2-phenylethyl)thioformamide

LE3

LE3
Name:	N-{4-[(R)-methylsulfinyl]butyl}thioformamide
Formula:	C6 H13 N O S2
SMILES:	O=S(CCCCNC=S)C
InChi:	InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1
Synonyms:	L-Sulforaphane, bound form
Definition date:	2011-07-08
Last modified:	2020-06-17
Release date:	2012-09-28
Identifier:	N-{4-[(R)-methylsulfinyl]butyl}thioformamide

LEA

LEA
Name:	PENTANOIC ACID
Formula:	C5 H10 O2
SMILES:	O=C(O)CCCC
InChi:	InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
Synonyms:	VALERIC ACID
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	pentanoic acid

783

783
Name:	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE
Formula:	C22 H19 N3 O2
SMILES:	[O-]c4c(c1ccccc1)cc(OC)cc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24)
Synonyms:	CRA_14783
Definition date:	2003-03-14
Last modified:	2020-06-17
Identifier:	3-{5-[amino(iminio)methyl]-1H-indol-2-yl}-5-methoxybiphenyl-2-olate

787

787
Name:	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID
Formula:	C7 H10 O6 P2
SMILES:	O=P(O)(O)C(c1ccccc1)P(=O)(O)O
InChi:	InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
Synonyms:	RU78783
Definition date:	2003-06-20
Last modified:	2020-06-17
Identifier:	(phenylmethanediyl)bis(phosphonic acid)

LEV

LEV
Name:	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
Formula:	C21 H19 Cl N4 O4
SMILES:	COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl
InChi:	InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
Synonyms:	lenvatinib
Definition date:	2014-09-26
Last modified:	2020-06-17
Release date:	2015-05-27
Identifier:	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide

LF7

LF7
Name:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
Formula:	C17 H27 N3 O2
SMILES:	O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4
InChi:	InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1
Synonyms:	Vildagliptin, bound form
Definition date:	2012-12-11
Last modified:	2020-06-17
Release date:	2013-05-15
Identifier:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one

LFF

LFF
Name:	(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid
Formula:	C26 H35 N2 O6 P
SMILES:	O=C(O)C(Cc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2
InChi:	InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1
Synonyms:	ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH
Definition date:	2014-12-23
Last modified:	2020-06-17
Release date:	2016-01-20
Identifier:	(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid

790

790
Name:	1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE
Formula:	C9 H12 N O4 P
SMILES:	O=P(O)(O)Oc1cccc2c1NCCC2
InChi:	InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
Synonyms:	RU79073
Definition date:	2003-06-20
Last modified:	2020-06-17
Identifier:	1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate

796

796
Name:	N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Formula:	C19 H19 Cl2 N5 O S
SMILES:	O=C(c2sc(c1nc(ncc1)NC)cc2)NC(Cc3ccc(Cl)cc3Cl)CN
InChi:	InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
Synonyms:	NOVARTIS 273796
Definition date:	2006-05-23
Last modified:	2020-06-17
Identifier:	N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

LG4

LG4
Name:	5-METHYLPYRIDIN-2-AMINE
Formula:	C6 H8 N2
SMILES:	n1cc(ccc1N)C
InChi:	InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
Synonyms:	2-AMINO-5-PICOLINE
Definition date:	2005-11-08
Last modified:	2020-06-17
Identifier:	5-methylpyridin-2-amine

LGB

LGB
Name:	2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile
Formula:	C15 H13 Cl F3 N3 O2
SMILES:	N#Cc3ccc(/N=C1OC(C(F)(F)F)C2N1CCC2O)c(c3Cl)C
InChi:	InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1
Synonyms:	3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
Definition date:	2009-01-30
Last modified:	2020-06-17
Identifier:	2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile

79V

79V
Name:	(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
Formula:	C17 H15 F N2 O
SMILES:	C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O
InChi:	InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1
Synonyms:	BRD4592
Definition date:	2016-09-19
Last modified:	2020-06-17
Release date:	2017-05-31
Identifier:	(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile

LGP

LGP
Name:	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE
Formula:	C9 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC(OCn1c2N=C(NC(=O)c2nc1)N)CO
InChi:	InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1
Synonyms:	LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl dihydrogen phosphate

LGZ

LGZ
Name:	CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER
Formula:	C36 H39 N3 O7
SMILES:	O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O)N)Cc6ccccc6
InChi:	InChI=1S/C36H39N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,21,26,29-32,38,40H,15-20,22H2,(H2,37,42)(H,39,43)/t26-,29+,30+,31-,32-,36+/m1/s1
Synonyms:	LGZ479 INHIBITOR
Definition date:	2003-01-21
Last modified:	2020-06-17
Identifier:	(3R)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate

LHA

LHA
Name:	DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162
Formula:	C37 H65 N7 O16
SMILES:	O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O)C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)C(O)C(O)C4N)C(N)C5)C(O)CCN
InChi:	InChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1
Synonyms:	(2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO XY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA NAMIDE
Definition date:	2007-06-05
Last modified:	2020-06-17
Identifier:	(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide

7AS

7AS
Name:	4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-L-leucinamide
Formula:	C25 H29 F4 N3 O3 S
SMILES:	c2cc(c1ccc(S(=O)(C)=O)cc1)ccc2C(NC(CC(C)(C)F)C(=O)NC3(CC3)[C@H]=N)C(F)(F)F
InChi:	InChI=1S/C25H29F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,15,20-21,30-31H,12-14H2,1-3H3,(H,32,33)/b30-15-/t20-,21-/m0/s1
Synonyms:	covalently linked Odanacatib
Definition date:	2016-09-26
Last modified:	2020-06-17
Release date:	2017-01-25
Identifier:	4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl}-L-leucinamide

7AT

7AT
Name:	1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C12 H15 N8 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2nc(c1c(ncnc12)N)c3cnnn3)C(O)C4O
InChi:	InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/t5-,8-,9-,12-/m1/s1
Synonyms:	7-triazolyl-8-aza-7-deazaadenosine
Definition date:	2013-11-22
Last modified:	2020-06-17
Release date:	2014-07-02
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

7AY

7AY
Name:	5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
Formula:	C24 H18 Cl N3 O4
SMILES:	c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl
InChi:	InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
Synonyms:	JLJ651
Definition date:	2016-09-26
Last modified:	2020-06-17
Release date:	2017-01-11
Identifier:	5-chloro-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile

LIC

LIC
Name:	3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA
Formula:	C24 H28 Cl N5 O3
SMILES:	Clc1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3
InChi:	InChI=1S/C24H28ClN5O3/c1-16(24(2,3)32)28-22-26-14-13-21(29-22)30(18-9-11-19(33-4)12-10-18)23(31)27-15-17-7-5-6-8-20(17)25/h5-14,16,32H,15H2,1-4H3,(H,27,31)(H,26,28,29)/t16-/m0/s1
Synonyms:	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
Definition date:	2006-03-29
Last modified:	2020-06-17
Identifier:	3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea

LIF

LIF
Name:	N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
Formula:	C27 H19 F4 N5 O3
SMILES:	FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3ccc(OC)cc3)N)cc5
InChi:	InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)
Synonyms:	N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
Definition date:	2005-02-22
Last modified:	2020-06-17
Identifier:	1-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

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