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PDB Info pages Status search Chemie search: 1132 results BIRD

UQ1

UQ1
Name:	UBIQUINONE-1
Formula:	C14 H18 O4
SMILES:	O=C1C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)C
InChi:	InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

YDP

YDP
Name:	(3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
Formula:	C28 H37 N5 O6 S2
SMILES:	O=S(=O)(N(C2C(N(CC=C(/C)C)S(=O)(=O)c1ccc(C(=O)N)cc1)CNC2)CC=C(/C)C)c3ccc(C(=O)N)cc3
InChi:	InChI=1S/C28H37N5O6S2/c1-19(2)13-15-32(40(36,37)23-9-5-21(6-10-23)27(29)34)25-17-31-18-26(25)33(16-14-20(3)4)41(38,39)24-11-7-22(8-12-24)28(30)35/h5-14,25-26,31H,15-18H2,1-4H3,(H2,29,34)(H2,30,35)/t25-,26-/m0/s1
Definition date:	2008-01-22
Last modified:	2011-06-04
Identifier:	4,4'-{(3S,4S)-pyrrolidine-3,4-diylbis[(3-methylbut-2-en-1-yl)sulfamoyl]}dibenzamide

TZB

TZB
Name:	(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
Formula:	C7 H10 N2 O2 S
SMILES:	O=C(O)C1N=C(SC1)C(N)=CC
InChi:	InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1
Definition date:	2000-11-02
Last modified:	2011-06-04
Identifier:	(4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

XGL

XGL
Name:	[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H16 N5 O6 P
SMILES:	O=P(O)(O)OCC3C=CC(n1c2N=C(NC(=O)c2nc1)N)CC3O
InChi:	InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m0/s1
Definition date:	2006-05-19
Last modified:	2011-06-04
Identifier:	[(1S,4R,6R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate

XGR

XGR
Name:	[(1R,4S,6S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
Formula:	C12 H16 N5 O6 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3
InChi:	InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m1/s1
Definition date:	2009-11-20
Last modified:	2011-06-04
Identifier:	[(1R,4S,6S)-4-(2-azanyl-6-oxo-1H-purin-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate

U02

U02
Name:	[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-METHYL}-PHENYLCARBAMOYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Formula:	C33 H38 N2 O6
SMILES:	O=C1OC(=CC(O)=C1C(c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)C3C=C3)C(Cc4ccccc4)CC
InChi:	InChI=1S/C33H38N2O6/c1-5-22(18-21-10-7-6-8-11-21)27-20-26(36)30(31(38)40-27)29(23-14-15-23)24-12-9-13-25(19-24)35-28(37)16-17-34-32(39)41-33(2,3)4/h6-15,19-20,22-23,29,36H,5,16-18H2,1-4H3,(H,34,39)(H,35,37)/t22-,29+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	tert-butyl [3-({3-[(S)-{6-[(1R)-1-benzylpropyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}(cycloprop-2-en-1-yl)methyl]phenyl}amino)-3-oxopropyl]carbamate

KN1

KN1
Name:	4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:	C17 H13 F3 N2 O2
SMILES:	FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CC=C
InChi:	InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2
Definition date:	2007-09-24
Last modified:	2011-06-04
Identifier:	4-[1-prop-2-en-1-yl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol

KN3

KN3
Name:	4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
Formula:	C19 H17 F3 N2 O2
SMILES:	FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C/C=C(/C)C
InChi:	InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18-14(4-3-5-15(18)19(20,21)22)17(23-24)13-7-6-12(25)10-16(13)26/h3-8,10,25-26H,9H2,1-2H3
Definition date:	2010-09-09
Last modified:	2011-06-04
Identifier:	4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol

W2X

W2X
Name:	N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE
Formula:	C15 H24 N2 O8 S
SMILES:	O=C(OC(C(=O)O)C(C)CO)C(NC(=O)CCCC(C(=O)O)N)C(S)=C
InChi:	InChI=1S/C15H24N2O8S/c1-7(6-18)12(14(22)23)25-15(24)11(8(2)26)17-10(19)5-3-4-9(16)13(20)21/h7,9,11-12,18,26H,2-6,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)/t7-,9+,11+,12-/m1/s1
Definition date:	2004-07-20
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-1-({[(1R,2R)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylprop-2-en-1-yl]-6-oxo-L-lysine

W37

W37
Name:	N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE
Formula:	C25 H29 Br N2 O
SMILES:	Brc3ccc(c2nccc1cc(OCCCCCCN(CC=C)C)ccc12)cc3
InChi:	InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
Definition date:	2002-10-03
Last modified:	2011-06-04
Identifier:	6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine

Y12

Y12
Name:	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE
Formula:	C21 H21 N O5
SMILES:	O=C(Oc1cc(ccc1OC(=O)C)C=CC(=O)NCCc2ccccc2)C
InChi:	InChI=1S/C21H21NO5/c1-15(23)26-19-10-8-18(14-20(19)27-16(2)24)9-11-21(25)22-13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,25)/b11-9+
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	4-{(1E)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}benzene-1,2-diyl diacetate

VA
Name:	(Z)-OCTADEC-11-ENYL ACETATE
Formula:	C20 H38 O2
SMILES:	O=C(OCCCCCCCCCCC=C/CCCCCC)C
InChi:	InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-
Definition date:	2006-05-08
Last modified:	2011-06-04
Identifier:	(11Z)-octadec-11-en-1-yl acetate

YZE

YZE
Name:	N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine
Formula:	C19 H24 I N3 O6
SMILES:	O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)C/C=C
InChi:	InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1
Definition date:	2009-09-22
Last modified:	2011-06-04
Identifier:	N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine

KRJ

KRJ
Name:	4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide
Formula:	C22 H25 N5 O
SMILES:	O=C(Nc1ccc(cc1C2=CCCCC2)C3CCNCC3)c4[nH]cc(n4)C#N
InChi:	InChI=1S/C22H25N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28)
Definition date:	2009-11-25
Last modified:	2011-06-04
Identifier:	4-cyano-N-(2-cyclohexen-1-yl-4-piperidin-4-yl-phenyl)-1H-imidazole-2-carboxamide

L1A

L1A
Name:	N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE
Formula:	C33 H50 N6 O7 S2
SMILES:	O=S(=O)(N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2)C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4
InChi:	InChI=1S/C33H50N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h3-5,7-8,11-12,21-23,26-30,38,40-41H,6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t23-,26+,27-,28-,29-,30+/m0/s1
Definition date:	2006-02-27
Last modified:	2011-06-04
Identifier:	N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide

L21

L21
Name:	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
Formula:	C10 H13 N5
SMILES:	N=1C2=C(N=CN(C2=NC=1)CC=C(/C)C)N
InChi:	InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3
Definition date:	2008-12-19
Last modified:	2011-06-04
Identifier:	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine

JTZ

JTZ
Name:	(2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
Formula:	C15 H23 N O2
SMILES:	O(c1ccccc1CC=C)CC(O)CNC(C)C
InChi:	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1
Definition date:	2010-07-20
Last modified:	2011-06-04
Identifier:	(2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

JZT

JZT
Name:	(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide
Formula:	C39 H64 N6 O7
SMILES:	CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C
InChi:	InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1
Definition date:	2009-12-08
Last modified:	2011-06-04

LAN

LAN
Name:	LANOSTEROL
Formula:	C30 H50 O
SMILES:	OC4C(C3CCC1=C(CCC2(C(C(C)CCC=C(/C)C)CCC12C)C)C3(C)CC4)(C)C
InChi:	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
Definition date:	2004-08-18
Last modified:	2011-06-04
Identifier:	(3beta)-lanosta-8,24-dien-3-ol

K2B

K2B
Name:	(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE
Formula:	C27 H44 O
SMILES:	O=C4C=C2C(C1CCC3(C(C1CC2)CCC3C(C)CCCC(C)C)C)(C)CC4
InChi:	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	(8alpha,9beta)-cholest-4-en-3-one

LEG

LEG
Name:	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
Formula:	C15 H20 O
SMILES:	O=C(c1ccc(cc1)CCCCCC)C=C
InChi:	InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
Definition date:	2007-05-29
Last modified:	2011-06-04
Identifier:	1-(4-hexylphenyl)prop-2-en-1-one

LEO

LEO
Name:	D-LIMONENE 1,2-EPOXIDE
Formula:	C10 H16 O
SMILES:	O1C2(C)CCC(/C(=C)C)CC12
InChi:	InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S,4R,6R)-1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane

K84

K84
Name:	(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
Formula:	C25 H37 N3 O2
SMILES:	O=C(c1nnc(o1)c2ncccc2)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(29)25-28-27-24(30-25)22-19-17-18-21-26-22/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
Definition date:	2009-10-20
Last modified:	2011-06-04
Identifier:	(9Z)-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]octadec-9-en-1-one

KAB

KAB
Name:	KABIRAMIDE C
Formula:	C48 H75 N5 O14
SMILES:	O=C(C(C)C(OC)C(C=CN(C)CO)C)CCC(C)C(OC)CC4OC(=O)CC(OC(O)N)CC(C)CC(O)C(C)C(OC)c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C
InChi:	InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1
Definition date:	2003-09-19
Last modified:	2011-06-04
Identifier:	(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-amino(hydroxy)methoxy]-12-hydroxy-20-{(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxoundec-10-en-1-yl}-10,22-dimethoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one

LK7

LK7
Name:	(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID
Formula:	C14 H19 N O4
SMILES:	O=C/C(=C/C)C1NC(=C2C1CCCC2OC)C(=O)O
InChi:	InChI=1S/C14H19NO4/c1-3-8(7-16)12-9-5-4-6-10(19-2)11(9)13(15-12)14(17)18/h3,7,9-10,12,15H,4-6H2,1-2H3,(H,17,18)/b8-3-/t9-,10-,12-/m0/s1
Definition date:	2007-06-15
Last modified:	2011-06-04
Identifier:	(1R,4S,7aS)-1-[(1E)-1-formylprop-1-en-1-yl]-4-methoxy-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid

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