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: 44865 results BIRD

LGM

LGM
Name:	3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE
Formula:	C32 H31 N7 O2
SMILES:	Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7
InChi:	InChI=1S/C32H31N7O2/c1-21-27-15-18-38(25-13-11-22(12-14-25)28-10-3-2-7-24(28)20-37-16-4-5-17-37)31(40)29(27)39(36-21)26-9-6-8-23(19-26)30-33-32(41)35-34-30/h2-3,6-14,19H,4-5,15-18,20H2,1H3,(H2,33,34,35,41)
Definition date:	2009-12-17
Last modified:	2011-06-04
Identifier:	3-methyl-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

5R1

5R1
Name:	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid
Formula:	C21 H21 N3 O6
SMILES:	O=C(O)c1ccc(cc1OC)c2nc(cnc2N)c3cc(OC)c(OC)c(OC)c3
InChi:	InChI=1S/C21H21N3O6/c1-27-15-7-11(5-6-13(15)21(25)26)18-20(22)23-10-14(24-18)12-8-16(28-2)19(30-4)17(9-12)29-3/h5-10H,1-4H3,(H2,22,23)(H,25,26)
Definition date:	2010-07-07
Last modified:	2011-06-04
Identifier:	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid

LGS

LGS
Name:	(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
Formula:	C15 H28 N2 O5
SMILES:	N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC
InChi:	InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2009-02-24
Last modified:	2011-06-04
Identifier:	(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol

LGT

LGT
Name:	L-GLUCARIC ACID
Formula:	C6 H10 O8
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m1/s1
Definition date:	2007-05-15
Last modified:	2011-06-04
Identifier:	L-glucaric acid

LGV

LGV
Name:	N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
Formula:	C19 H17 F N8 O
SMILES:	Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5
InChi:	InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)
Definition date:	2010-07-19
Last modified:	2011-06-04
Identifier:	N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide

LGW

LGW
Name:	N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Formula:	C22 H21 F N8 O
SMILES:	Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2)C3CC3)c5cccn5n4
InChi:	InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m0/s1
Definition date:	2010-07-19
Last modified:	2011-06-04
Identifier:	[(2S)-2-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}pyrrolidin-1-yl](6-fluoropyridin-3-yl)methanone

LGX

LGX
Name:	N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Formula:	C22 H21 F N8 O
SMILES:	Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2)C3CC3)c5cccn5n4
InChi:	InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m1/s1
Definition date:	2010-07-19
Last modified:	2011-06-04
Identifier:	[(2R)-2-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}pyrrolidin-1-yl](6-fluoropyridin-3-yl)methanone

LHG

LHG
Name:	1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
Formula:	C38 H75 O10 P
SMILES:	O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1
Definition date:	2001-06-25
Last modified:	2011-06-04
Identifier:	(2R)-3-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate

LHJ

LHJ
Name:	N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
Formula:	C24 H20 F2 N4 O2
SMILES:	CN1C(=O)C(=Cc2cnn(c3ccc(F)cc3F)c12)c4cc(ccc4C)C(=O)NC5CC5
InChi:	InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)
Definition date:	2010-01-29
Last modified:	2011-06-04
Identifier:	N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-pyrazolo[3,4-b]pyridin-5-yl]-4-methyl-benzamide

LHL

LHL
Name:	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C25 H28 Cl2 N6 O2
SMILES:	CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
InChi:	InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30)
Definition date:	2009-11-12
Last modified:	2011-06-04
Identifier:	3-(2,6-dichlorophenyl)-7-[[4-(2-diethylaminoethyloxy)phenyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one

5SC

5SC
Name:	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Formula:	C19 H16 Br N5 O
SMILES:	[O-][n+]1cccc(c1)CNc2cc(nc3c(Br)cnn23)c4ccccc4C
InChi:	InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5SD

5SD
Name:	5ALPHA-ANDROSTAN-3,17-DIONE
Formula:	C19 H28 O2
SMILES:	O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C
InChi:	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
Definition date:	2003-05-30
Last modified:	2011-06-04
Identifier:	(5beta,8alpha,10alpha,13alpha,14beta)-androstane-3,17-dione

LHY

LHY
Name:	L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE
Formula:	C10 H12 N2 O4
SMILES:	O=C(O)C(NC(=O)NO)Cc1ccccc1
InChi:	InChI=1S/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1
Definition date:	2000-11-22
Last modified:	2011-06-04
Identifier:	N-(hydroxycarbamoyl)-L-phenylalanine

5SE

5SE
Name:	2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C10 H16 N3 O7 P Se
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C([Se]C)=C1)CC2O
InChi:	InChI=1S/C10H16N3O7PSe/c1-22-7-3-13(10(15)12-9(7)11)8-2-5(14)6(20-8)4-19-21(16,17)18/h3,5-6,8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,6+,8+/m0/s1
Definition date:	2009-08-07
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)

LI
Name:	LITHIUM ION
Formula:	Li
SMILES:	[Li+]
InChi:	InChI=1S/Li/q+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	lithium

LI0

LI0
Name:	4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE
Formula:	C36 H40 N4 O6 S2
SMILES:	[O-][N+](=O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(OC)(CC4)Cc5ccccc5
InChi:	InChI=1S/C36H40N4O6S2/c1-35(2,26-47-30-12-8-5-9-13-30)37-32-19-18-31(24-33(32)40(42)43)48(44,45)38-34(41)28-14-16-29(17-15-28)39-22-20-36(46-3,21-23-39)25-27-10-6-4-7-11-27/h4-19,24,37H,20-23,25-26H2,1-3H3,(H,38,41)
Definition date:	2006-12-08
Last modified:	2011-06-04
Identifier:	4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[1,1-dimethyl-2-(phenylsulfanyl)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide

LI2

LI2
Name:	3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
Formula:	C26 H25 F N4 O2
SMILES:	O=C(Nc2cc1c(cnc1cc2)CCc3ccncc3)c4cc(cc(F)c4)N5CCOCC5
InChi:	InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-fluoro-5-morpholin-4-yl-N-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]benzamide

LI3

LI3
Name:	3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE
Formula:	C19 H18 F N3 O2
SMILES:	O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4
InChi:	InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide

LI4

LI4
Name:	3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
Formula:	C16 H14 N2 O
SMILES:	O(c1cccnc1N)Cc3c2ccccc2ccc3
InChi:	InChI=1S/C16H14N2O/c17-16-15(9-4-10-18-16)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,17,18)
Definition date:	2004-11-05
Last modified:	2011-06-04
Identifier:	3-(naphthalen-1-ylmethoxy)pyridin-2-amine

LI6

LI6
Name:	3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C10 H9 N O3
SMILES:	O=C2C(O)=C(O)c1c(cccc1)N2C
InChi:	InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	3,4-dihydroxy-1-methylquinolin-2(1H)-one

LI7

LI7
Name:	(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
Formula:	C14 H10 N2 O2
SMILES:	O=C3C(=N/c1ccc(O)cc1)c2ccccc2N3
InChi:	InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
Definition date:	2005-03-07
Last modified:	2011-06-04
Identifier:	(3Z)-3-[(4-hydroxyphenyl)imino]-1,3-dihydro-2H-indol-2-one

LI8

LI8
Name:	N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
Formula:	C23 H31 Br N8 O3
SMILES:	O=C(Nc2cccc(Nc1nc(NCCCNC(=O)C(C(=O)N)(C)C)c(Br)cn1)c2)N3CCCC3
InChi:	InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
Definition date:	2005-03-21
Last modified:	2011-06-04
Identifier:	N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamide

LI9

LI9
Name:	4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:	C27 H29 F N6 O
SMILES:	Fc1ccc(cc1)C2=C(N(N(C2=O)C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C
InChi:	InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)34(33(25)2)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1
Definition date:	2005-03-21
Last modified:	2011-06-04
Identifier:	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one

LIA

LIA
Name:	(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE
Formula:	C18 H21 F2 N5 O4 S
SMILES:	O=S(=O)(N3CCC(Nc2nc(N)c(C(=O)c1c(F)c(F)ccc1OC)cn2)CC3)C
InChi:	InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
Definition date:	2006-02-03
Last modified:	2011-06-04
Identifier:	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone

LIE

LIE
Name:	2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE
Formula:	C20 H16 F3 N5 O
SMILES:	Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C)C)Nc3ccccc3F
InChi:	InChI=1S/C20H16F3N5O/c1-11(2)28-18-16(26-19(28)25-15-9-4-3-6-12(15)21)10-24-20(27-18)29-17-13(22)7-5-8-14(17)23/h3-11H,1-2H3,(H,25,26)
Definition date:	2006-05-10
Last modified:	2011-06-04
Identifier:	2-(2,6-difluorophenoxy)-N-(2-fluorophenyl)-9-(1-methylethyl)-9H-purin-8-amine

<1675 1676 1677 1678 1679 1680 168116821683 1684 1685 1686 1687 1688 1689 1690 >

234136

PDB entries from 2025-04-02

PDB statistics

PDBj update info

Contact PDBj

numon