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PDB Info pages Status search Chemie search: 44216 results BIRD

SO0

SO0
Name:	(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
Formula:	C23 H29 Cl2 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C23H29Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-14,16-17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1
Definition date:	2023-08-28
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide

YOP

YOP
Name:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one
Formula:	C8 H12 N2 O2
SMILES:	O=C1NC=CC=C1CC(N)CO
InChi:	InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
Definition date:	2021-03-17
Last modified:	2024-09-27
Release date:	2021-08-25
Identifier:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one

4HJ

4HJ
Name:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
Formula:	C21 H32 N3 O11 P S
SMILES:	NC(COP(O)(OCC(C)(C)C(C(NCCC(NCCSC(c1c(cccc1)O)=O)=O)=O)O)=O)C(=O)O
InChi:	InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1
Definition date:	2015-09-08
Last modified:	2024-09-27
Release date:	2015-09-23
Identifier:	O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine

O6K

O6K
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C31 H41 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O
InChi:	InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1
Synonyms:	(S,S,S)-13b
Definition date:	2020-02-17
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

VGX

VGX
Name:	4-hydroxy-2-oxobutanoic acid
Formula:	C4 H6 O4
SMILES:	C(CC(=O)C(O)=O)O
InChi:	InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
Definition date:	2016-08-03
Last modified:	2024-09-27
Release date:	2016-09-14
Identifier:	4-hydroxy-2-oxobutanoic acid

O6L

O6L
Name:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H26 Cl2 N2 O3
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3
InChi:	InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25)
Definition date:	2022-08-30
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide

SO2

SO2
Name:	SULFUR DIOXIDE
Formula:	O2 S
SMILES:	O=S=O
InChi:	InChI=1S/O2S/c1-3-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	oxosulfane oxide

VVI

VVI
Name:	1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea
Formula:	C21 H17 Br Cl2 N6 O4
SMILES:	COc1cc(Br)c(CO)nc1NC(=O)Nc2cc(O[CH](C)c3c(Cl)cncc3Cl)c(cn2)C#N
InChi:	InChI=1S/C21H17BrCl2N6O4/c1-10(19-13(23)7-26-8-14(19)24)34-16-4-18(27-6-11(16)5-25)29-21(32)30-20-17(33-2)3-12(22)15(9-31)28-20/h3-4,6-8,10,31H,9H2,1-2H3,(H2,27,28,29,30,32)/t10-/m1/s1
Definition date:	2023-08-22
Last modified:	2024-09-27
Release date:	2024-07-31
Identifier:	1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea

4HL

4HL
Name:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
Formula:	C16 H17 N3 O5
SMILES:	O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2
InChi:	InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1
Definition date:	2006-11-30
Last modified:	2024-09-27
Identifier:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate

ZRF

ZRF
Name:	2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C8 H11 N3 O4
SMILES:	C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O
InChi:	InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1
Synonyms:	2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid

Z82

Z82
Name:	4-bromobenzoic acid
Formula:	C7 H5 Br O2
SMILES:	OC(=O)c1ccc(Br)cc1
InChi:	InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
Definition date:	2010-01-26
Last modified:	2024-09-27
Identifier:	4-bromobenzoic acid

SO3

SO3
Name:	SULFITE ION
Formula:	O3 S
SMILES:	[O-]S([O-])=O
InChi:	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	sulfite

XYC

XYC
Name:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
Formula:	C8 H15 N O2
SMILES:	N[CH](CC1CCCC1)C(O)=O
InChi:	InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
Definition date:	2016-06-10
Last modified:	2024-09-27
Release date:	2017-05-31
Identifier:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

PTX

PTX
Name:	{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Formula:	C7 H11 N4 O5 P S
SMILES:	O=P(O)(O)CNC(=O)C(=NOC)/c1nc(sc1)N
InChi:	InChI=1S/C7H11N4O5PS/c1-16-11-5(4-2-18-7(8)10-4)6(12)9-3-17(13,14)15/h2H,3H2,1H3,(H2,8,10)(H,9,12)(H2,13,14,15)/b11-5-
Definition date:	2003-11-24
Last modified:	2024-09-27
Identifier:	({[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}methyl)phosphonic acid

S8T

S8T
Name:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
Formula:	C17 H17 F S
SMILES:	CC(C)c1ccc2Sc3cc(F)ccc3CCc2c1
InChi:	InChI=1S/C17H17FS/c1-11(2)13-6-8-16-14(9-13)4-3-12-5-7-15(18)10-17(12)19-16/h5-11H,3-4H2,1-2H3
Synonyms:	Isofloxythepin
Definition date:	2020-11-11
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine

T29

T29
Name:	TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)
Formula:	C22 H34 B N5 O5 S
SMILES:	O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide

PTY

PTY
Name:	PHOSPHATIDYLETHANOLAMINE
Formula:	C40 H80 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
Definition date:	2002-04-01
Last modified:	2024-09-27
Identifier:	(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl icosanoate

WQF

WQF
Name:	(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid
Formula:	C12 H17 N2 O7 P
SMILES:	Oc1c(CNC(C=C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C12H17N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,10,14-15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
Definition date:	2022-10-12
Last modified:	2024-09-27
Release date:	2023-10-25
Identifier:	(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid

4HP

4HP
Name:	4-HYDROXYPHENYLACETATE
Formula:	C8 H8 O3
SMILES:	O=C(O)Cc1ccc(O)cc1
InChi:	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-hydroxyphenyl)acetic acid

ZRJ

ZRJ
Name:	tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate
Formula:	C14 H21 N O4
SMILES:	COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C
InChi:	InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1
Synonyms:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate

XYF

XYF
Name:	5(R)-fluoro-beta-D-xylopyranose
Formula:	C5 H8 F O5
SMILES:	[O-]C1OC(F)C(O)C(O)C1O
InChi:	InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1
Synonyms:	5(R)-fluoro-beta-D-xylose
Definition date:	2004-10-23
Last modified:	2024-09-27
Identifier:	(2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name)

XYG

XYG
Name:	[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H13 N3 O4
SMILES:	O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+
Synonyms:	CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY)
Definition date:	2006-11-16
Last modified:	2024-09-27
Identifier:	{(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

A1H2E

A1H2E
Name:	1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
Formula:	C17 H24 N4 O3 P
SMILES:	N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:	InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
Definition date:	2024-01-17
Last modified:	2024-09-27
Release date:	2024-01-31
Identifier:	[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium

YBU

YBU
Name:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
Formula:	C9 H7 N3 O
SMILES:	N=Cc1oc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine

NRG

NRG
Name:	N-OMEGA-NITRO-L-ARGININE
Formula:	C6 H13 N5 O4
SMILES:	[O-][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N
InChi:	InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
Synonyms:	NNA
Definition date:	1999-07-28
Last modified:	2024-09-27
Identifier:	N~5~-(N-nitrocarbamimidoyl)-L-ornithine

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