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PDB Info pages Status search Chemie search: 44311 results BIRD

C76

C76
Name:	2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Formula:	C8 H12 F3 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	N-trifluoroacetyl-D-glucosamine
Definition date:	2019-04-12
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

JDJ

JDJ
Name:	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
Formula:	C30 H54 O9
SMILES:	CC(CC(C)(c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO)C)(C)C
InChi:	InChI=1S/C30H54O9/c1-29(2,3)26-30(4,5)27-6-8-28(9-7-27)39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h6-9,31H,10-26H2,1-5H3
Synonyms:	Anapoe-X-114
Definition date:	2018-09-04
Last modified:	2020-06-17
Release date:	2019-07-10
Identifier:	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol

C7M

C7M
Name:	(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM
Formula:	C25 H30 Cl N6 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4
InChi:	InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1
Synonyms:	INHIBITOR OF THROMBIN
Definition date:	2005-12-08
Last modified:	2020-06-17
Identifier:	(2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium

JDR

JDR
Name:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
Formula:	C13 H13 Cl N4 O3 S2
SMILES:	O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O
InChi:	InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)
Synonyms:	4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:	2010-03-29
Last modified:	2020-06-17
Identifier:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide

JEF

JEF
Name:	O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Formula:	C30 H63 N O10
SMILES:	O(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(N)C)CC(OCCOC)C
InChi:	InChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22?,23-,24?,25-,26?,27+,28-,29+,30?/m1/s1
Synonyms:	JEFFAMINE
Definition date:	2003-02-27
Last modified:	2020-06-17
Identifier:	(9S,12R,15R,18S,21S,24R,27R)-6,9,12,15,18,21,24,27-octamethyl-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-amine

C8F

C8F
Name:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
Formula:	C38 H66 F N O9
SMILES:	Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide

C8M

C8M
Name:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
Formula:	C15 H23 N7 O4
SMILES:	O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1
Synonyms:	5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name)

C8P

C8P
Name:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
Formula:	C38 H67 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2
InChi:	InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
Synonyms:	(2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Definition date:	2009-04-07
Last modified:	2020-06-17
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide

JEY

JEY
Name:	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Formula:	C19 H20 N2 O2
SMILES:	C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C
InChi:	InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
Synonyms:	2-phenylmelatonin
Definition date:	2018-09-06
Last modified:	2020-06-17
Release date:	2019-04-24
Identifier:	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide

C8X

C8X
Name:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Formula:	C12 H14 O6
SMILES:	OCCOC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
Synonyms:	bis(2-hydroxyethyl) terephthalate
Definition date:	2019-04-16
Last modified:	2020-06-17
Release date:	2020-04-15
Identifier:	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

JFN

JFN
Name:	(2R)-1-methoxypropan-2-amine
Formula:	C4 H11 N O
SMILES:	COCC(C)N
InChi:	InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1
Synonyms:	jeffamine
Definition date:	2018-08-17
Last modified:	2020-06-17
Release date:	2018-10-17
Identifier:	(2R)-1-methoxypropan-2-amine

CAD

CAD
Name:	CACODYLIC ACID
Formula:	C2 H7 As O2
SMILES:	O=[As](O)(C)C
InChi:	InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Synonyms:	HYDROXYDIMETHYLARSINE OXIDE
Definition date:	1999-07-26
Last modified:	2020-06-17
Identifier:	dimethylarsinic acid

CAU

CAU
Name:	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
Formula:	C18 H22 N2 O2
SMILES:	OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2
InChi:	InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-Carazolol
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol

JH2

JH2
Name:	methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
Formula:	C17 H28 O3
SMILES:	O=C(OC)C=C(/C)CCC=C(/C)CCC1OC1(CC)C
InChi:	InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1
Synonyms:	JH II, Juvenile hormone II
Definition date:	2010-10-26
Last modified:	2020-06-17
Identifier:	methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate

CBE

CBE
Name:	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE
Formula:	C12 H13 N O2 S
SMILES:	O=C(C=1SCCOC=1C)Nc2ccccc2
InChi:	InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
Synonyms:	5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID
Definition date:	2005-07-21
Last modified:	2020-06-17
Identifier:	2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

CBQ

CBQ
Name:	[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C6 H9 Cl N2 O6 P2
SMILES:	O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O
InChi:	InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Synonyms:	[{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	{[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid)

JI1

JI1
Name:	3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
Formula:	C13 H22 N4 O
SMILES:	n1c(N)cccc1CC2CNCC2NCCCO
InChi:	InChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1
Synonyms:	(+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
Definition date:	2007-10-23
Last modified:	2020-06-17
Identifier:	3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol

JI5

JI5
Name:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Formula:	C21 H30 F N5
SMILES:	Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
Synonyms:	N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Definition date:	2009-09-23
Last modified:	2020-06-17
Identifier:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

JIA

JIA
Name:	(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Formula:	C19 H39 N5 O9
SMILES:	CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O
InChi:	InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
Synonyms:	JI-20A
Definition date:	2018-02-02
Last modified:	2020-06-17
Release date:	2019-01-16
Identifier:	(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

CCB

CCB
Name:	CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE
Formula:	C10 H17 N O
SMILES:	O=CN(C1CCC1)C2CCCC2
InChi:	InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
Synonyms:	N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE
Definition date:	2004-07-26
Last modified:	2020-06-17
Identifier:	N-cyclobutyl-N-cyclopentylformamide

CCE

CCE
Name:	2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C6 H15 N2 O2
SMILES:	O=C(OCC[N+](C)(C)C)N
InChi:	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
Synonyms:	CARBAMYL-CHOLINE
Definition date:	2004-01-15
Last modified:	2020-06-17
Identifier:	2-(carbamoyloxy)-N,N,N-trimethylethanaminium

CCR

CCR
Name:	[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Formula:	C29 H39 N5 O7 S
SMILES:	O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3
InChi:	InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1
Synonyms:	CRC200 (CHIRON-BEHRING)
Definition date:	2001-10-23
Last modified:	2020-06-17
Identifier:	N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine

CCU

CCU
Name:	(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID
Formula:	C6 H6 O4
SMILES:	O=C(O)C=C/C=CC(=O)O
InChi:	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
Synonyms:	CIS,CIS-MUCONIC ACID
Definition date:	2005-12-09
Last modified:	2020-06-17
Identifier:	(2Z,4Z)-hexa-2,4-dienedioic acid

CCV

CCV
Name:	6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Formula:	C9 H14 N2 O4
SMILES:	O=C1NC(=C(C(=O)N1)C)CC(CO)CO
InChi:	InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
Synonyms:	6-(DIHYDROXY-ISOBUTYL)-THYMINE
Definition date:	2000-05-25
Last modified:	2020-06-17
Identifier:	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione

JK1

JK1
Name:	3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide
Formula:	C26 H25 N5 O5
SMILES:	O=C(Nc1cc(OC)c(OC)c(OC)c1)c2cccc(c2)n3ncc(c3)NC(=O)Nc4ccccc4
InChi:	InChI=1S/C26H25N5O5/c1-34-22-13-19(14-23(35-2)24(22)36-3)28-25(32)17-8-7-11-21(12-17)31-16-20(15-27-31)30-26(33)29-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,28,32)(H2,29,30,33)
Synonyms:	3-(4-(3-phenylureido)-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Definition date:	2008-12-12
Last modified:	2020-06-17
Identifier:	3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide

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