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PDB Info pages Status search Chemie search: 43859 results BIRD

A1L1U

A1L1U
Name:	Nocardicin G
Formula:	C19 H19 N3 O6
SMILES:	N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
InChi:	InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1
Synonyms:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid

A1L7Q

A1L7Q
Name:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
Formula:	C27 H22 F3 N5 O2
SMILES:	Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4
InChi:	InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione

A1L7R

A1L7R
Name:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
Formula:	C23 H18 Cl2 F3 N5 O2
SMILES:	Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5
InChi:	InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione

A1L9C

A1L9C
Name:	~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
Formula:	C19 H21 N3 O7 S
SMILES:	CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3
InChi:	InChI=1S/C19H21N3O7S/c1-12(23)20-14-2-4-15(5-3-14)30(28,29)22-8-6-21(7-9-22)19(27)13-10-16(24)18(26)17(25)11-13/h2-5,10-11,24-26H,6-9H2,1H3,(H,20,23)
Definition date:	2025-04-28
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide

A1H2U

A1H2U
Name:	(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol
Formula:	C25 H34 N2 O2
SMILES:	C[C]12CCC(C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)Cc5ccccn5)=NO
InChi:	InChI=1S/C25H34N2O2/c1-23-11-8-18(27-29)15-17(23)6-7-20-21(23)9-12-24(2)22(20)10-13-25(24,28)16-19-5-3-4-14-26-19/h3-5,14-15,20-22,28-29H,6-13,16H2,1-2H3/b27-18-/t20-,21+,22+,23+,24+,25-/m1/s1
Synonyms:	17beta-Hydroxy-17alpha-picolyl-androst-4-en-(3Z)-one oxime
Definition date:	2024-01-22
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol

A1H9A

A1H9A
Name:	3-(cyclooctylamino)-2,6-difluoro-4-((3-hydroxypropyl)sulfonyl)-5-(piperidin-1-yl)benzenesulfonamide
Formula:	C22 H35 F2 N3 O5 S2
SMILES:	N[S](=O)(=O)c1c(F)c(NC2CCCCCCC2)c(c(N3CCCCC3)c1F)[S](=O)(=O)CCCO
InChi:	InChI=1S/C22H35F2N3O5S2/c23-17-19(26-16-10-5-2-1-3-6-11-16)22(33(29,30)15-9-14-28)20(27-12-7-4-8-13-27)18(24)21(17)34(25,31)32/h16,26,28H,1-15H2,(H2,25,31,32)
Synonyms:	3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide
Definition date:	2024-04-24
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-(cyclooctylamino)-2,6-bis(fluoranyl)-4-(3-oxidanylpropylsulfonyl)-5-piperidin-1-yl-benzenesulfonamide

A1I45

A1I45
Name:	5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one
Formula:	C17 H13 N3 O2
SMILES:	Oc1cccc2[nH]c3NC(=NC(=O)c3c12)Cc4ccccc4
InChi:	InChI=1S/C17H13N3O2/c21-12-8-4-7-11-14(12)15-16(18-11)19-13(20-17(15)22)9-10-5-2-1-3-6-10/h1-8,21H,9H2,(H2,18,19,20,22)
Definition date:	2025-03-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one

A1I76

A1I76
Name:	3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
Formula:	C11 H9 N3 S
SMILES:	Cc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C11H9N3S/c1-8-12-13-11-14(8)10(7-15-11)9-5-3-2-4-6-9/h2-7H,1H3
Definition date:	2025-03-25
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

A1I8D

A1I8D
Name:	(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol
Formula:	C11 H9 N3 O S
SMILES:	OCc1nnc2scc(n12)c3ccccc3
InChi:	InChI=1S/C11H9N3OS/c15-6-10-12-13-11-14(10)9(7-16-11)8-4-2-1-3-5-8/h1-5,7,15H,6H2
Definition date:	2025-03-26
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol

A1I9V

A1I9V
Name:	5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O8 P S
SMILES:	CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O
InChi:	InChI=1S/C10H15N2O8PS/c1-4-2-12(10(22)11-8(4)15)9-7(14)6(13)5(20-9)3-19-21(16,17)18/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,22)(H2,16,17,18)/t5-,6-,7-,9-/m1/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2025-04-04
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

A1IAA

A1IAA
Name:	1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C18 H29 N3 O2
SMILES:	CCCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCC[CH](C2)[CH](C)N
InChi:	InChI=1S/C18H29N3O2/c1-5-7-15-16(13(4)22)12(3)20-17(15)18(23)21-9-6-8-14(10-21)11(2)19/h11,14,20H,5-10,19H2,1-4H3/t11-,14-/m1/s1
Definition date:	2024-05-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone

A1IAB

A1IAB
Name:	1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone
Formula:	C22 H31 N5 O2
SMILES:	CC(=O)c1c(C)[nH]c(c1C)C(=O)N2CCC[CH](C2)c3n[nH]cc3CN4CCCC4
InChi:	InChI=1S/C22H31N5O2/c1-14-19(16(3)28)15(2)24-20(14)22(29)27-10-6-7-17(13-27)21-18(11-23-25-21)12-26-8-4-5-9-26/h11,17,24H,4-10,12-13H2,1-3H3,(H,23,25)/t17-/m1/s1
Definition date:	2024-05-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone

A1IAQ

A1IAQ
Name:	2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol
Formula:	C6 H11 N3 O
SMILES:	Cc1ncc(N)n1CCO
InChi:	InChI=1S/C6H11N3O/c1-5-8-4-6(7)9(5)2-3-10/h4,10H,2-3,7H2,1H3
Definition date:	2024-05-08
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	2-(5-azanyl-2-methyl-imidazol-1-yl)ethanol

A1ILZ

A1ILZ
Name:	3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Formula:	C24 H25 Cl N4 O4
SMILES:	COc1c(Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4OC[CH]5CCCO5
InChi:	InChI=1S/C24H25ClN4O4/c1-31-23-16(25)5-2-6-18(23)29-22-20-17(8-10-27-24(20)30)28-21(22)15-7-9-26-12-19(15)33-13-14-4-3-11-32-14/h2,5-7,9,12,14,28-29H,3-4,8,10-11,13H2,1H3,(H,27,30)/t14-/m1/s1
Definition date:	2024-08-20
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

A1IMT

A1IMT
Name:	(2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one
Formula:	C32 H37 Cl N6 O3
SMILES:	COc1c(Cl)cccc1N[CH]2[CH](NC3=C2C(=O)NCC3)c4ccncc4C#C[C]5(C)CCCN5C(=O)C=CCN(C)C
InChi:	InChI=1S/C32H37ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,28-29,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6-/t28-,29+,32-/m1/s1
Definition date:	2024-08-27
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2~{R},3~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2~{R})-1-[(~{E})-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one

A1IOW

A1IOW
Name:	(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
Formula:	C18 H26 O2
SMILES:	CC(C)[C]12CC[C](C)(O1)[CH](C2)OCc3ccccc3C
InChi:	InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16?,17-,18+/m0/s1
Definition date:	2024-09-17
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane

A1IPE

A1IPE
Name:	Oxaziclomefone
Formula:	C20 H19 Cl2 N O2
SMILES:	CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3
InChi:	InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
Synonyms:	3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one
Definition date:	2024-09-20
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one

A1IPM

A1IPM
Name:	1,4-dimethyl-6-(methylamino)pyridine-3-carboxamide
Formula:	C9 H14 N3 O
SMILES:	CNc1cc(C)c(c[n+]1C)C(N)=O
InChi:	InChI=1S/C9H13N3O/c1-6-4-8(11-2)12(3)5-7(6)9(10)13/h4-5H,1-3H3,(H2,10,13)/p+1
Definition date:	2024-09-25
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1,4-dimethyl-6-(methylamino)pyridin-1-ium-3-carboxamide

A1IPO

A1IPO
Name:	4-methoxy-2,3-dimethyl-pyridine
Formula:	C8 H11 N O
SMILES:	COc1ccnc(C)c1C
InChi:	InChI=1S/C8H11NO/c1-6-7(2)9-5-4-8(6)10-3/h4-5H,1-3H3
Definition date:	2024-09-26
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	4-methoxy-2,3-dimethyl-pyridine

A1IQR

A1IQR
Name:	3,4-dihydroisoquinolin-1-amine
Formula:	C9 H10 N2
SMILES:	NC1=NCCc2ccccc12
InChi:	InChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2,(H2,10,11)
Definition date:	2024-10-02
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3,4-dihydroisoquinolin-1-amine

A1IV8

A1IV8
Name:	~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide
Formula:	C21 H20 Cl F N2 O3
SMILES:	COC1=C(C(=O)N(C1)C(C)(C)C(=O)Nc2cccc(Cl)c2)c3ccccc3F
InChi:	InChI=1S/C21H20ClFN2O3/c1-21(2,20(27)24-14-8-6-7-13(22)11-14)25-12-17(28-3)18(19(25)26)15-9-4-5-10-16(15)23/h4-11H,12H2,1-3H3,(H,24,27)
Definition date:	2024-12-06
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide

A1IWF

A1IWF
Name:	(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole
Formula:	C18 H16 F3 N O2
SMILES:	C[C]1(COCc2c(F)cccc2F)CC(=NO1)c3ccccc3F
InChi:	InChI=1S/C18H16F3NO2/c1-18(11-23-10-13-15(20)7-4-8-16(13)21)9-17(22-24-18)12-5-2-3-6-14(12)19/h2-8H,9-11H2,1H3/t18-/m0/s1
Definition date:	2024-12-10
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(5~{S})-5-[[2,6-bis(fluoranyl)phenyl]methoxymethyl]-3-(2-fluorophenyl)-5-methyl-4~{H}-1,2-oxazole

A1IYE

A1IYE
Name:	2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid
Formula:	C18 H13 Br O6
SMILES:	OC(=O)COc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O
InChi:	InChI=1S/C18H13BrO6/c19-12-6-4-10(5-7-12)15-16(22)18(23)25-17(15)11-2-1-3-13(8-11)24-9-14(20)21/h1-8,17,22H,9H2,(H,20,21)/t17-/m1/s1
Definition date:	2025-01-10
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	2-[3-[(2~{R})-3-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-furan-2-yl]phenoxy]ethanoic acid

M12

M12
Name:	10-METHYLUNDECANOIC ACID
Formula:	C12 H24 O2
SMILES:	O=C(O)CCCCCCCCC(C)C
InChi:	InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
Definition date:	2010-07-29
Last modified:	2025-05-08
Identifier:	10-methylundecanoic acid

CGL

CGL
Name:	CYSTINE-GLUTATHIONE
Formula:	C13 H22 N4 O8 S2
SMILES:	O=C(NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O)CCC(N)C(=O)O
InChi:	InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1
Synonyms:	(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)
Definition date:	1999-07-08
Last modified:	2025-05-05
Identifier:	(2S)-2-amino-5-({(2R)-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name)

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