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PDB Info pages Status search Chemie search: 44240 results BIRD

SGK

SGK
Name:	2-(pyridin-2-ylmethylamino)ethanoic acid
Formula:	C8 H10 N2 O2
SMILES:	OC(=O)CNCc1ccccn1
InChi:	InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
Definition date:	2020-11-16
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	2-(pyridin-2-ylmethylamino)ethanoic acid

OUI

OUI
Name:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC[CH](C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid

SGL

SGL
Name:	1-HYDROXY-1-THIO-GLYCEROL
Formula:	C3 H8 O3 S
SMILES:	OCC(O)CSO
InChi:	InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2,3-dihydroxypropane-1-sulfenic acid

Q2K

Q2K
Name:	2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
Formula:	C9 H11 N3 O4 S
SMILES:	CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O
InChi:	InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-
Synonyms:	CHROMOPHORE (MET-TYR-GLY)
Definition date:	2022-10-11
Last modified:	2024-09-27
Release date:	2023-02-15
Identifier:	2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid

LYT

LYT
Name:	BUTYLAMINE
Formula:	C4 H11 N
SMILES:	NCCCC
InChi:	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	butan-1-amine

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

TPN

TPN
Name:	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
Formula:	C11 H17 N4 O5
SMILES:	O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-{(carboxymethyl)[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]amino}ethanaminium

SGM

SGM
Name:	MONOTHIOGLYCEROL
Formula:	C3 H8 O2 S
SMILES:	OCC(O)CS
InChi:	InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-3-sulfanylpropane-1,2-diol

1S6

1S6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
Formula:	C19 H21 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Synonyms:	Oxacillin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2013-10-09
Identifier:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

TPO

TPO
Name:	PHOSPHOTHREONINE
Formula:	C4 H10 N O6 P
SMILES:	O=P(O)(O)OC(C(N)C(=O)O)C
InChi:	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
Synonyms:	PHOSPHONOTHREONINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-phosphono-L-threonine

P8C

P8C
Name:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H40 F2 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22+/m0/s1
Definition date:	2022-05-26
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

OUK

OUK
Name:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
Formula:	C7 H18 N3 O2
SMILES:	N[CH](CCCC[NH3+])CNC(O)=O
InChi:	InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium

1S7

1S7
Name:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H16 N2 O5 S2
SMILES:	O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:	InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1
Synonyms:	Cefoxitin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2014-10-29
Identifier:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

LYV

LYV
Name:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
Formula:	C9 H19 N4 O8 P
SMILES:	O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O
InChi:	InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1
Definition date:	2013-12-06
Last modified:	2024-09-27
Release date:	2014-12-03
Identifier:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide

OUL

OUL
Name:	4-(4-aminocarbonylphenoxy)benzamide
Formula:	C14 H12 N2 O3
SMILES:	NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
InChi:	InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
Synonyms:	OUL35
Definition date:	2017-09-25
Last modified:	2024-09-27
Release date:	2018-07-25
Identifier:	4-(4-aminocarbonylphenoxy)benzamide

U44

U44
Name:	(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
Formula:	C11 H22 N2 O3 S
SMILES:	C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O
InChi:	InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide

QH0

QH0
Name:	(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C22 H32 N4 O6
SMILES:	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O
InChi:	InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1
Definition date:	2022-10-31
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

TPQ

TPQ
Name:	5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE
Formula:	C9 H9 N O5
SMILES:	O=C1C(=CC(=O)C(O)=C1)CC(C(=O)O)N
InChi:	InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1
Synonyms:	5-(2-CARBOXY-2-AMINOETHYL)-4-HYDROXY-1,2-BENZOQUINONE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-L-alanine

LYX

LYX
Name:	N''-(2-COENZYME A)-PROPANOYL-LYSINE
Formula:	C30 H52 N9 O19 P3 S
SMILES:	O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
InChi:	InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1
Definition date:	2002-07-22
Last modified:	2024-09-27
Identifier:	(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)

SGR

SGR
Name:	O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-SERINE
Formula:	C4 H11 N2 O5 P
SMILES:	O=P(OC)(OCC(N)C(=O)O)N
InChi:	InChI=1S/C4H11N2O5P/c1-10-12(6,9)11-2-3(5)4(7)8/h3H,2,5H2,1H3,(H2,6,9)(H,7,8)/t3-,12+/m0/s1
Definition date:	2007-02-13
Last modified:	2024-09-27
Identifier:	O-[(R)-amino(methoxy)phosphoryl]-L-serine

LYZ

LYZ
Name:	5-HYDROXYLYSINE
Formula:	C6 H14 N2 O3
SMILES:	O=C(O)C(N)CCC(O)CN
InChi:	InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(5R)-5-hydroxy-L-lysine

QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

OUR

OUR
Name:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
Formula:	C7 H18 N5 O2
SMILES:	N[CH](CCCNC(N)=[NH2+])CNC(O)=O
InChi:	InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1
Definition date:	2017-02-10
Last modified:	2024-09-27
Release date:	2017-04-12
Identifier:	[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium

8NB

8NB
Name:	~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Formula:	C9 H10 Cl N O2
SMILES:	COc1ccc(NC(C)=O)cc1Cl
InChi:	InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)
Definition date:	2017-02-13
Last modified:	2024-09-27
Release date:	2017-04-05
Identifier:	~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide

P8K

P8K
Name:	hexyl(octoxy)phosphinic acid
Formula:	C14 H31 O3 P
SMILES:	CCCCCCCCO[P](O)(=O)CCCCCC
InChi:	InChI=1S/C14H31O3P/c1-3-5-7-9-10-11-13-17-18(15,16)14-12-8-6-4-2/h3-14H2,1-2H3,(H,15,16)
Definition date:	2020-04-17
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	hexyl(octoxy)phosphinic acid

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