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PDB Info pages Status search Chemie search: 112 results BIRD

VFL

VFL
Name:	(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol
Formula:	C11 H17 N O2
SMILES:	NCC(O)COc1ccc(C)cc1C
InChi:	InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol

U6K

U6K
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
Formula:	C20 H23 N5 O4
SMILES:	N[CH]1N=CN[CH]2[CH]1C=CN2[CH]3O[CH](COc4ccc5cccnc5c4)[CH](O)[CH]3O
InChi:	InChI=1S/C20H23N5O4/c21-18-13-5-7-25(19(13)24-10-23-18)20-17(27)16(26)15(29-20)9-28-12-4-3-11-2-1-6-22-14(11)8-12/h1-8,10,13,15-20,26-27H,9,21H2,(H,23,24)/t13-,15+,16+,17+,18+,19-,20+/m0/s1
Definition date:	2021-01-25
Last modified:	2022-02-25
Release date:	2022-03-02
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol

8UQ

8UQ
Name:	8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide
Formula:	C33 H42 Cl N3 O3
SMILES:	COc1cc(CNC(=O)CCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O
InChi:	InChI=1S/C33H42ClN3O3/c1-21-14-23-16-24(15-21)32-28(17-23)37-27-19-25(34)10-11-26(27)33(32)35-13-7-5-3-4-6-8-31(39)36-20-22-9-12-29(38)30(18-22)40-2/h9-12,18-19,21,23-24,38H,3-8,13-17,20H2,1-2H3,(H,35,37)(H,36,39)/t21-,23-,24+/m0/s1
Definition date:	2017-03-09
Last modified:	2021-10-01
Release date:	2021-10-06

4Y4

4Y4
Name:	1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
Formula:	C21 H27 N O3
SMILES:	CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2
InChi:	InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1
Definition date:	2021-08-10
Last modified:	2021-09-17
Release date:	2021-09-22
Identifier:	1-[2-[(2~{R})-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one

UGK

UGK
Name:	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
Formula:	C23 H21 F N6 O3
SMILES:	COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C
InChi:	InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
Definition date:	2021-02-16
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one

H43

H43
Name:	2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
Formula:	C24 H26 N2 O2
SMILES:	C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34
InChi:	InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
Synonyms:	Evocalcet
Definition date:	2020-11-02
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid

QH1

QH1
Name:	N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
Formula:	C28 H31 F2 N7 O3 S
SMILES:	O=C(C)N1CCC(CC1)N(C)c1ccc2n(cc(c3cncnc3)c2n1)c1c(F)ccc(NS(=O)(=O)CCC)c1F
InChi:	InChI=1S/C28H31F2N7O3S/c1-4-13-41(39,40)34-23-6-5-22(29)28(26(23)30)37-16-21(19-14-31-17-32-15-19)27-24(37)7-8-25(33-27)35(3)20-9-11-36(12-10-20)18(2)38/h5-8,14-17,20,34H,4,9-13H2,1-3H3
Definition date:	2019-10-31
Last modified:	2021-03-15
Release date:	2020-06-03
Identifier:	N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide

FCN

FCN
Name:	FOSFOMYCIN
Formula:	C3 H7 O4 P
SMILES:	O=P(O)(O)C1OC1C
InChi:	InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
Synonyms:	1,2-EPOXYPROPYLPHOSPHONIC ACID
Definition date:	1999-07-08
Last modified:	2021-03-13
Identifier:	[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid

NSL

NSL
Name:	4-Hydroxyazobenzene
Formula:	C12 H10 N2 O
SMILES:	c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:	InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:	4-[(E)-phenyldiazenyl]phenol
Definition date:	2019-04-15
Last modified:	2021-03-01
Release date:	2019-07-24
Identifier:	4-[(E)-phenyldiazenyl]phenol

2RC

2RC
Name:	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
Formula:	C23 H26 F N6 O9 P
SMILES:	Fc1cnc(nc1Nc2nc3N(C(=O)C(Oc3cc2)(C)C)COP(=O)(O)O)Nc4cc(OC)c(OC)c(OC)c4
InChi:	InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)
Synonyms:	Fostamatinib
Definition date:	2014-01-13
Last modified:	2021-03-01
Release date:	2014-03-05
Identifier:	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate

SU1

SU1
Name:	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Formula:	C17 H16 N2 O3
SMILES:	O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
InChi:	InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
Synonyms:	SU5402
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

NIZ

NIZ
Name:	pyridine-4-carbohydrazide
Formula:	C6 H7 N3 O
SMILES:	O=C(NN)c1ccncc1
InChi:	InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Synonyms:	isonicotinic acid hydrazid
Definition date:	2010-05-21
Last modified:	2021-03-01
Identifier:	pyridine-4-carbohydrazide

UW5

UW5
Name:	1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
Formula:	C22 H23 N5 O2
SMILES:	OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C
InChi:	InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25)
Synonyms:	UW1553
Definition date:	2017-10-30
Last modified:	2021-03-01
Release date:	2017-12-06
Identifier:	1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol

B1R

B1R
Name:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
Formula:	C20 H16 N2 O2 Ru S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57
InChi:	InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
Synonyms:	biotinylruthenocene
Definition date:	2012-12-06
Last modified:	2021-03-01
Release date:	2013-08-14
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium

IJZ

IJZ
Name:	5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C5 H5 N3 O4
SMILES:	NC1=C(NC(=O)NC1=O)C(O)=O
InChi:	InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)
Synonyms:	5-aminoorotic acid
Definition date:	2010-04-15
Last modified:	2021-03-01

MF5

MF5
Name:	1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
Formula:	C14 H10 F5 N2 O
SMILES:	Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C
InChi:	InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+
Synonyms:	methyl2-(pentafluorobenzyloxyimino)pyridinium
Definition date:	2012-07-04
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium

QTE

QTE
Name:	methylcyclohexane
Formula:	C7 H14
SMILES:	CC1CCCCC1
InChi:	InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
Definition date:	2020-08-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	methylcyclohexane

UEY

UEY
Name:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C19 H17 N5
SMILES:	c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4
InChi:	InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1
Definition date:	2020-05-14
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

GL6

GL6
Name:	N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine
Formula:	C8 H18 N O8 P
SMILES:	O=P(OC)(OC)NC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C8H18NO8P/c1-15-18(14,16-2)9-8-7(13)6(12)5(11)4(3-10)17-8/h4-8,10-13H,3H2,1-2H3,(H,9,14)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
Definition date:	2004-09-06
Last modified:	2020-07-17
Identifier:	N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine

RVG

RVG
Name:	6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
Formula:	C8 H16 O5
SMILES:	OC1C(OC)C(OC)C(OC1C)O
InChi:	InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1
Definition date:	2020-02-26
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose

NG1

NG1
Name:	2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
Formula:	C8 H16 N O9 P
SMILES:	O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:	InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
Definition date:	2005-06-27
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose

NG6

NG6
Name:	2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-D-GALACTOSAMINE 6-SULFATE
Definition date:	2000-12-12
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose

C3X

C3X
Name:	(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside
Formula:	C8 H14 O6
SMILES:	O(CC1OC1)C2OCC(O)C(O)C2O
InChi:	InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	2,3-EPOXYPROPYL-BETA-D-XYLOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside

OX2

OX2
Name:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
Formula:	C9 H14 N2 O6
SMILES:	OC1C(O)C(O)C(OC1CO)c2nnc(o2)C
InChi:	InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
Definition date:	2004-10-05
Last modified:	2020-07-17
Identifier:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol

AZC

AZC
Name:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
Formula:	C9 H16 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:	InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
Definition date:	2001-09-21
Last modified:	2020-07-17
Identifier:	N-(acetylcarbamoyl)-beta-D-glucopyranosylamine

238582

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