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PDB Info pages Status search Chemie search: 43993 results BIRD

U40

U40
Name:	8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C29 H30 N4 O3
SMILES:	O=C1NC(=O)C2(CCN(CC2)C(=O)c3cc(nc4ccccc34)c5ccc(cc5)C6CCCCC6)N1
InChi:	InChI=1S/C29H30N4O3/c34-26(33-16-14-29(15-17-33)27(35)31-28(36)32-29)23-18-25(30-24-9-5-4-8-22(23)24)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-13,18-19H,1-3,6-7,14-17H2,(H2,31,32,35,36)
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

U45

U45
Name:	3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide
Formula:	C24 H20 N4 O3
SMILES:	NC(=O)C1=NN(C[CH](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15
InChi:	InChI=1S/C24H20N4O3/c25-23(30)22-18-9-1-2-10-19(18)24(31)28(26-22)14-15(29)13-27-20-11-5-3-7-16(20)17-8-4-6-12-21(17)27/h1-12,15,29H,13-14H2,(H2,25,30)/t15-/m1/s1
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide

U4F

U4F
Name:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Formula:	C23 H20 N2 O3
SMILES:	O=C1c2ccccc2c3cc(nc4cccc1c34)N5CCC6(CC5)OCCO6
InChi:	InChI=1S/C23H20N2O3/c26-22-16-5-2-1-4-15(16)18-14-20(24-19-7-3-6-17(22)21(18)19)25-10-8-23(9-11-25)27-12-13-28-23/h1-7,14H,8-13H2
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

U4O

U4O
Name:	[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
Formula:	C29 H26 N4 O3
SMILES:	O=C(N1CCN(CC1)C(=O)c2c3CCCC(=Cc4occc4)c3nc5ccccc25)c6ccccn6
InChi:	InChI=1S/C29H26N4O3/c34-28(25-12-3-4-13-30-25)32-14-16-33(17-15-32)29(35)26-22-9-1-2-11-24(22)31-27-20(7-5-10-23(26)27)19-21-8-6-18-36-21/h1-4,6,8-9,11-13,18-19H,5,7,10,14-17H2/b20-19+
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone

KYI

KYI
Name:	5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione
Formula:	C16 H12 N2 O2
SMILES:	O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3
InChi:	InChI=1S/C16H12N2O2/c19-15-14(10-17-16(20)18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19,20)
Definition date:	2022-06-07
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	5-(2-phenylphenyl)-1~{H}-pyrimidine-2,4-dione

JRI

JRI
Name:	(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide
Formula:	C20 H22 F N5 O2
SMILES:	C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34
InChi:	InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1
Definition date:	2022-08-25
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	(2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide

OXU

OXU
Name:	2-bromanylethanamine
Formula:	C2 H6 Br N
SMILES:	NCCBr
InChi:	InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
Definition date:	2023-08-22
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	2-bromanylethanamine

OYU

OYU
Name:	~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate
Formula:	C7 H15 N O3
SMILES:	CC(C)(C)OC(=O)NCCO
InChi:	InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
Definition date:	2022-09-28
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate

Q09

Q09
Name:	2-(4-ethoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide
Formula:	C27 H33 N3 O2
SMILES:	CCOc1ccc(cc1)c2cc(C(=O)NCCCN3CCCC[CH]3C)c4ccccc4n2
InChi:	InChI=1S/C27H33N3O2/c1-3-32-22-14-12-21(13-15-22)26-19-24(23-10-4-5-11-25(23)29-26)27(31)28-16-8-18-30-17-7-6-9-20(30)2/h4-5,10-15,19-20H,3,6-9,16-18H2,1-2H3,(H,28,31)/t20-/m1/s1
Definition date:	2023-03-09
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	2-(4-ethoxyphenyl)-~{N}-[3-[(2~{R})-2-methylpiperidin-1-yl]propyl]quinoline-4-carboxamide

CKF

CKF
Name:	3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid
Formula:	C19 H20 N2 O6 S2
SMILES:	CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:	InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27)
Definition date:	2022-04-04
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid

SL9

SL9
Name:	(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide
Formula:	C10 H20 N4 O2 S
SMILES:	CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O
InChi:	InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1
Definition date:	2022-12-15
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide

T0Q

T0Q
Name:	~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid
Formula:	C15 H26 N5 O7 P
SMILES:	CN1CCN(C)C1N[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O
InChi:	InChI=1S/C15H26N5O7P/c1-9-7-20(15(23)16-13(9)22)12-6-10(21)11(27-12)8-26-28(24,25)17-14-18(2)4-5-19(14)3/h7,10-12,14,21H,4-6,8H2,1-3H3,(H,16,22,23)(H2,17,24,25)/t10-,11+,12+/m0/s1
Synonyms:	phosphoryl thymidine moiety, Sp-diastereomer
Definition date:	2020-12-09
Last modified:	2023-09-22
Release date:	2021-01-13
Identifier:	~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid

0AX

0AX
Name:	N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C34 H42 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:	InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30+/m0/s1
Definition date:	2022-09-29
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide

0BO

0BO
Name:	N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Formula:	C30 H40 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5
InChi:	InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26+/m0/s1
Definition date:	2022-09-29
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

G7U

G7U
Name:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide
Formula:	C23 H44 N3 O10 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(O)CC(=O)CCCCCCCC
InChi:	InChI=1S/C23H44N3O10P/c1-4-5-6-7-8-9-10-17(27)15-18(28)21(31)26-14-13-24-19(29)11-12-25-22(32)20(30)23(2,3)16-36-37(33,34)35/h18,20,28,30H,4-16H2,1-3H3,(H,24,29)(H,25,32)(H,26,31)(H2,33,34,35)/t18-,20+/m1/s1
Definition date:	2023-04-27
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide

H5X

H5X
Name:	3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid
Formula:	C19 H19 N O7 S2
SMILES:	COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:	InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26)
Definition date:	2022-05-20
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid

H6I

H6I
Name:	4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid
Formula:	C18 H17 N O7 S2
SMILES:	OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3
InChi:	InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26)
Definition date:	2022-05-20
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid

HJ6

HJ6
Name:	3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid
Formula:	C29 H29 N7 O9 S2
SMILES:	CNC(=O)c1ccc2n(CC3CN(C3)[S](=O)(=O)c4cccc(c4)[S](O)(=O)=O)c(nc2c1)c5oc(Cn6nc(C)c(c6C)[N+]([O-])=O)cc5
InChi:	InChI=1S/C29H29N7O9S2/c1-17-27(36(38)39)18(2)35(32-17)16-21-8-10-26(45-21)28-31-24-11-20(29(37)30-3)7-9-25(24)34(28)15-19-13-33(14-19)46(40,41)22-5-4-6-23(12-22)47(42,43)44/h4-12,19H,13-16H2,1-3H3,(H,30,37)(H,42,43,44)
Definition date:	2022-05-26
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid

IQ8

IQ8
Name:	N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Formula:	C14 H17 N3 O2 S
SMILES:	CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2
InChi:	InChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19)
Definition date:	2022-07-08
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	~{N}-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

8LH

8LH
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate
Formula:	C14 H20 N5 O9 P
SMILES:	C[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C14H20N5O9P/c1-6(2-20)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-22H,2-3H2,1H3,(H,24,25)(H2,15,16,17)/t6-,7-,9-,10-,13-/m1/s1
Definition date:	2017-02-09
Last modified:	2023-09-21
Release date:	2019-08-28
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate

YYQ

YYQ
Name:	2-acetamido-2-deoxy-alpha-L-galactopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1
Synonyms:	N-acetyl-alpha-L-galactosamine
Definition date:	2012-12-17
Last modified:	2023-09-20
Release date:	2020-07-29
Identifier:	2-(acetylamino)-2-deoxy-alpha-L-galactopyranose

7UH

7UH
Name:	Doxofylline
Formula:	C11 H14 N4 O4
SMILES:	CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O
InChi:	InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
Synonyms:	7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
Definition date:	2021-10-27
Last modified:	2023-09-20
Release date:	2023-02-01
Identifier:	7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione

RTV

RTV
Name:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol
Formula:	C8 H15 N O5
SMILES:	OC1C(C(NC(C)=O)COC1CO)O
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1
Definition date:	2020-02-25
Last modified:	2023-09-20
Release date:	2020-07-29
Identifier:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol

IBL

IBL
Name:	Azo-Combretastatin A4 (cis)
Formula:	C16 H18 N2 O5
SMILES:	COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
InChi:	InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3
Synonyms:	2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol
Definition date:	2022-03-08
Last modified:	2023-09-20
Release date:	2023-02-22
Identifier:	2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]phenol

IE5

IE5
Name:	Biliverdine IX Alpha
Formula:	C33 H34 N4 O6
SMILES:	Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C
InChi:	InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
Synonyms:	3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Definition date:	2022-06-27
Last modified:	2023-09-20
Release date:	2023-05-24
Identifier:	3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

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