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PDB Info pages Status search Chemie search: 76 results BIRD

VDU

VDU
Name:	fluorolissoclimide
Formula:	C20 H30 F N O4
SMILES:	CC1(C)C[CH](F)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
InChi:	InChI=1S/C20H30FNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
Synonyms:	(3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-fluoranyl-5,5,8a-trimethyl-2-methylidene-3-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Definition date:	2023-09-12
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-fluoranyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

Y65

Y65
Name:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid
Formula:	C21 H30 N8 O15 P2
SMILES:	N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1
Definition date:	2023-11-21
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid

A1BOF

A1BOF
Name:	(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide
Formula:	C17 H20 N4 O2
SMILES:	O=C(C(c1ccccc1)n1cccn1)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C17H20N4O2/c18-16(22)14-8-4-10-20(12-14)17(23)15(21-11-5-9-19-21)13-6-2-1-3-7-13/h1-3,5-7,9,11,14-15H,4,8,10,12H2,(H2,18,22)/t14-,15-/m0/s1
Definition date:	2025-01-10
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2S)-2-phenyl-2-(1H-pyrazol-1-yl)acetyl]piperidine-3-carboxamide

O6U

O6U
Name:	Nirogacestat
Formula:	C27 H41 F2 N5 O
SMILES:	CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C
InChi:	InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
Definition date:	2023-08-23
Last modified:	2024-11-11
Release date:	2024-08-14
Identifier:	(2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide

A1AUY

A1AUY
Name:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C16 H15 F2 N5
SMILES:	FC1(F)CCC(CC1)c1cnn2ccc(nc12)c1ncccn1
InChi:	InChI=1S/C16H15F2N5/c17-16(18)5-2-11(3-6-16)12-10-21-23-9-4-13(22-15(12)23)14-19-7-1-8-20-14/h1,4,7-11H,2-3,5-6H2
Definition date:	2024-06-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine

NLY

NLY
Name:	N-(4-aminobutyl)glycine
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)CNCCCCN
InChi:	InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)
Definition date:	2012-10-18
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	N-(4-aminobutyl)glycine

GNC

GNC
Name:	N~2~-methyl-L-glutamine
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C(NC)CCC(=O)N
InChi:	InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1
Definition date:	2011-11-30
Last modified:	2024-09-27
Release date:	2012-11-16
Identifier:	N~2~-methyl-L-glutamine

HJV

HJV
Name:	N~2~-methyl-D-glutamine
Formula:	C6 H12 N2 O3
SMILES:	CNC(CCC(=O)N)C(=O)O
InChi:	InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m1/s1
Definition date:	2018-07-09
Last modified:	2024-09-27
Release date:	2018-10-17
Identifier:	N~2~-methyl-D-glutamine

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

ACA

ACA
Name:	6-AMINOHEXANOIC ACID
Formula:	C6 H13 N O2
SMILES:	O=C(O)CCCCCN
InChi:	InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Synonyms:	AMINOCAPROIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	6-aminohexanoic acid

K7I

K7I
Name:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
Formula:	C16 H25 N3 O3
SMILES:	O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C
InChi:	InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1
Synonyms:	ALA-ALA-PHE-CHLOROMETHYL KETONE
Definition date:	2007-11-12
Last modified:	2024-09-27
Identifier:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide

WCM

WCM
Name:	(2S)-2-amino-3-(biphenyl-4-yl)-N-methyl-N-[(2S)-1-oxopropan-2-yl]propanamide (non-preferred name)
Formula:	C19 H22 N2 O3
SMILES:	C(C(Cc2ccc(c1ccccc1)cc2)N)(N(C(C)C(O)=O)C)=O
InChi:	InChI=1S/C19H22N2O3/c1-13(19(23)24)21(2)18(22)17(20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,23,24)/t13-,17-/m0/s1
Definition date:	2020-10-13
Last modified:	2024-09-27
Release date:	2021-11-10
Identifier:	(2S)-2-{[(2S)-2-amino-3-(biphenyl-4-yl)propanoyl](methyl)amino}propanoic acid (non-preferred name)

CIX

CIX
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide
Formula:	C25 H42 B N3 O6
SMILES:	O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
Synonyms:	MG262
Definition date:	2012-08-02
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide

DJK

DJK
Name:	N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Formula:	C17 H13 Br N4 O
SMILES:	Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C
InChi:	InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
Definition date:	2006-08-02
Last modified:	2024-09-27
Identifier:	N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide

XN0

XN0
Name:	3',4'-demethoxy-nogalose-nogalamycinone
Formula:	C29 H32 O12
SMILES:	CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23
InChi:	InChI=1S/C29H32O12/c1-11-24(34)29(3,37)25(38-4)27(40-11)41-16-10-28(2,36)20(26(35)39-5)13-9-14-19(23(33)18(13)16)22(32)17-12(21(14)31)7-6-8-15(17)30/h6-9,11,16,20,24-25,27,30,33-34,36-37H,10H2,1-5H3/t11-,16-,20-,24-,25-,27-,28-,29+/m0/s1
Synonyms:	methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
Definition date:	2023-11-06
Last modified:	2024-08-02
Release date:	2024-08-07
Identifier:	methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate

XN8

XN8
Name:	3',4'-demethoxy-nogalose-1-hydroxy-nogalamycinone
Formula:	C29 H32 O13
SMILES:	CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c(O)ccc(O)c5C(=O)c4c(O)c23
InChi:	InChI=1S/C29H32O13/c1-10-24(35)29(3,38)25(39-4)27(41-10)42-15-9-28(2,37)20(26(36)40-5)11-8-12-17(22(33)16(11)15)23(34)19-14(31)7-6-13(30)18(19)21(12)32/h6-8,10,15,20,24-25,27,30-31,33,35,37-38H,9H2,1-5H3/t10-,15-,20-,24-,25-,27-,28-,29+/m0/s1
Synonyms:	methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
Definition date:	2023-11-06
Last modified:	2024-08-02
Release date:	2024-08-07
Identifier:	methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate

ZJT

ZJT
Name:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C13 H9 F O2 S
SMILES:	O=C(O)c1cc2CCc3cc(F)ccc3c2s1
InChi:	InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)
Definition date:	2023-06-27
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

UYX

UYX
Name:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione
Formula:	C22 H22 F N3 O3
SMILES:	Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O
InChi:	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
Definition date:	2023-06-27
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione

RG3

RG3
Name:	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C23 H21 Cl N4 O5 S
SMILES:	CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:	InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

VLW

VLW
Name:	5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
Formula:	C26 H30 N4 O
SMILES:	COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
InChi:	InChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3
Definition date:	2023-03-20
Last modified:	2023-10-19
Release date:	2023-06-14
Identifier:	5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline

8X9

8X9
Name:	2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
Formula:	C12 H19 N O2
SMILES:	CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O
InChi:	InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
Synonyms:	Mirogabalin
Definition date:	2021-12-28
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid

LB9

LB9
Name:	5-azaniumylpentylazanium
Formula:	C5 H16 N2
SMILES:	[NH3+]CCCCC[NH3+]
InChi:	InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2
Synonyms:	cadaverine (protonated)
Definition date:	2022-06-29
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	5-azaniumylpentylazanium

IEC

IEC
Name:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol
Formula:	C21 H24 O6 S
SMILES:	COc1ccc(cc1)C(=C)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
InChi:	InChI=1S/C21H24O6S/c1-12(13-3-7-15(26-2)8-4-13)14-5-9-16(10-6-14)28-21-20(25)19(24)18(23)17(11-22)27-21/h3-10,17-25H,1,11H2,2H3/t17-,18+,19+,20-,21+/m1/s1
Synonyms:	Biaryl-thiogalactoside
Definition date:	2022-03-11
Last modified:	2023-01-13
Release date:	2023-01-18
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol

VTT

VTT
Name:	3-methylthiophene-2-carbohydrazide
Formula:	C6 H8 N2 O S
SMILES:	O=C(NN)c1sccc1C
InChi:	InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-methylthiophene-2-carbohydrazide

F4L

F4L
Name:	Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
Formula:	C17 H21 N7 O3
SMILES:	O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1
Definition date:	2021-12-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide

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