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PDB Info pages Status search Chemie search: 35455 results BIRD

4V5

4V5
Name:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
Formula:	C15 H21 N O7
SMILES:	c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O
InChi:	InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1
Synonyms:	N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine
Definition date:	2015-06-04
Last modified:	2020-07-17
Release date:	2015-06-17
Identifier:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose

50A

50A
Name:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H10 F O7 P
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)O
InChi:	InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
Synonyms:	Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:	2011-05-24
Last modified:	2020-07-17
Identifier:	2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose

510

510
Name:	methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate
Formula:	C12 H22 N2 O12 S2
SMILES:	COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O
InChi:	InChI=1S/C12H22N2O12S2/c1-24-11(19)6-2-5(26-28(13,22)23)3-14(6)27(20,21)12-10(18)9(17)8(16)7(4-15)25-12/h5-10,12,15-18H,2-4H2,1H3,(H2,13,22,23)/t5-,6+,7+,8-,9-,10-,12+/m1/s1
Definition date:	2015-07-08
Last modified:	2020-07-17
Release date:	2015-08-05
Identifier:	methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate

51N

51N
Name:	5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H13 O14 P3
SMILES:	C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O
InChi:	InChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:	1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID
Definition date:	2015-06-15
Last modified:	2020-07-17
Release date:	2016-07-20
Identifier:	5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose

JAG

JAG
Name:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one
Formula:	C23 H20 F3 N O3
SMILES:	CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1
Definition date:	2019-01-30
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one

JFZ

JFZ
Name:	4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C12 H15 N O7
SMILES:	C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
Synonyms:	4-nitrophenyl-alpha-L-fucose
Definition date:	2019-02-19
Last modified:	2020-07-17
Release date:	2019-02-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol

CT3

CT3
Name:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	C18 H32 O16
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1
Synonyms:	Beta-CELLOTRIOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

CTO

CTO
Name:	TRIACETYLCHITOTRIOSE
Formula:	C24 H41 N3 O16
SMILES:	O=C(NC3C(O)C(O)C(OC3OC2C(OC(OC1C(OC(O)C(NC(=O)C)C1O)CO)C(NC(=O)C)C2O)CO)CO)C
InChi:	InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
Synonyms:	CHITOTRIOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose

CTR

CTR
Name:	CELLOTRIOSE
Formula:	C18 H32 O16
SMILES:	O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:	InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1
Synonyms:	Dextrin
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose

CTT

CTT
Name:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	C24 H42 O21
SMILES:	O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1
Synonyms:	CELLOTETRAOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

JHM

JHM
Name:	2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O8 S
SMILES:	O=S(=O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
Definition date:	2010-09-27
Last modified:	2020-07-17
Identifier:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose

V01

V01
Name:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
Formula:	C24 H21 N5 O4
SMILES:	O=C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc4ncncc4)=O)C5CC5
InChi:	InChI=1S/C24H21N5O4/c30-22-13-33-20-11-17(5-8-19(20)27-22)24(32)29(18-6-7-18)12-15-1-3-16(4-2-15)23(31)28-21-9-10-25-14-26-21/h1-5,8-11,14,18H,6-7,12-13H2,(H,27,30)(H,25,26,28,31)
Definition date:	2020-06-09
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

V1G

V1G
Name:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
Formula:	C28 H27 F2 N5 O4
SMILES:	CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O)C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)(C)C
InChi:	InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1
Definition date:	2020-06-12
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide

D0N

D0N
Name:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan- 3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C12 H21 F O10
SMILES:	OC[CH]1O[CH](O[CH]2[CH](F)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H21FO10/c13-5-7(17)11(20)21-4(2-15)10(5)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12-/m1/s1
Definition date:	2017-12-15
Last modified:	2020-07-17
Release date:	2019-01-30
Identifier:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{S})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

V3M

V3M
Name:	2-deoxy-2-fluoro-alpha-D-arabinofuranose
Formula:	C5 H9 F O4
SMILES:	OC1OC(CO)C(C1F)O
InChi:	InChI=1S/C5H9FO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3+,4-,5+/m1/s1
Definition date:	2020-06-20
Last modified:	2020-07-17
Release date:	2020-07-01
Identifier:	2-deoxy-2-fluoro-alpha-D-arabinofuranose

V3P

V3P
Name:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
Formula:	C12 H15 I O4 S2
SMILES:	C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S
InChi:	InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1
Definition date:	2020-06-21
Last modified:	2020-07-17
Release date:	2020-07-01
Identifier:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside

D1M

D1M
Name:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:	C12 H14 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/m1/s1
Synonyms:	5-ethynyl-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
Definition date:	2012-04-12
Last modified:	2020-07-17
Identifier:	5-ethynyl-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

V71

V71
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside
Formula:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1
Synonyms:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside
Definition date:	2015-06-17
Last modified:	2020-07-17
Release date:	2016-06-22
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside

95Z

95Z
Name:	2-amino-2-deoxy-alpha-D-mannopyranose
Formula:	C6 H13 N O5
SMILES:	N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6+/m1/s1
Synonyms:	alpha-D-mannosamine
Definition date:	2017-04-25
Last modified:	2020-07-17
Release date:	2017-12-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol

96O

96O
Name:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside
Formula:	C10 H17 N3 O6
SMILES:	C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O
InChi:	InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1
Synonyms:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside
Definition date:	2018-01-25
Last modified:	2020-07-17
Release date:	2019-04-10
Identifier:	(1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside

9C1

9C1
Name:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose
Formula:	C10 H16 Cl N O6
SMILES:	C(=C/CCl)C(=O)NC1C(C(C(CO)OC1O)O)O
InChi:	InChI=1S/C10H16ClNO6/c11-3-1-2-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h1-2,5,7-10,13,15-17H,3-4H2,(H,12,14)/b2-1+/t5-,7-,8-,9-,10-/m1/s1
Synonyms:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucose
Definition date:	2017-04-18
Last modified:	2020-07-17
Release date:	2017-10-18
Identifier:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose

9CD

9CD
Name:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose
Formula:	C10 H17 N O6
SMILES:	OC1C(C(OC(C1O)CO)O)NC([C@H]=CC)=O
InChi:	InChI=1S/C10H17NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h2-3,5,7-10,12,14-16H,4H2,1H3,(H,11,13)/b3-2+/t5-,7-,8-,9-,10-/m1/s1
Synonyms:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucose
Definition date:	2017-04-18
Last modified:	2020-07-17
Release date:	2017-10-18
Identifier:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose

IDC

IDC
Name:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside
Formula:	C14 H22 N2 O9
SMILES:	O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1
Synonyms:	5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE
Definition date:	1999-08-03
Last modified:	2020-07-17
Identifier:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside

IDF

IDF
Name:	5-fluoro-alpha-L-idopyranosyluronic acid fluoride
Formula:	C6 H8 F2 O6
SMILES:	FC1OC(F)(C(=O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
Synonyms:	5-fluoro-alpha-L-idosyluronic acid fluoride
Definition date:	2013-05-07
Last modified:	2020-07-17
Release date:	2013-09-18
Identifier:	(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

IDG

IDG
Name:	2,6-diamino-2,6-dideoxy-beta-L-idopyranose
Formula:	C6 H14 N2 O4
SMILES:	OC1C(O)C(OC(O)C1N)CN
InChi:	InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1
Synonyms:	O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,6-diamino-2,6-dideoxy-beta-L-idopyranose

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