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PDB Info pages Status search Chemie search: 43884 results BIRD

YJM

YJM
Name:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	C6 H13 N O11 S2
SMILES:	C1(O)C(NS(O)(=O)=O)C(O)C(C(O1)COS(=O)(O)=O)O
InChi:	InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose
Definition date:	2016-08-25
Last modified:	2020-08-11
Release date:	2018-02-21
Identifier:	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

GPO

GPO
Name:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:	InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
Synonyms:	4-O-phosphono-D-glycero-beta-D-manno-heptose
Definition date:	2008-03-28
Last modified:	2020-08-11
Identifier:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose

L1L

L1L
Name:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
Definition date:	2016-02-09
Last modified:	2020-08-11
Release date:	2016-08-10
Identifier:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate

RV7

RV7
Name:	4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	C1(OC(C(C(C1O)O)N)C)O
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	4-amino-4,6-dideoxy-alpha-D-glucopyranose

TWG

TWG
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	C1(OC(C(C(C1O)O)O)CS)O
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	6-thio-alpha-D-mannopyranose

Y41

Y41
Name:	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Formula:	C20 H20 N2 O
SMILES:	O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3
InChi:	InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
Definition date:	2020-08-04
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

O0W

O0W
Name:	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
Formula:	C21 H22 N4 O2
SMILES:	CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O
InChi:	InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3
Definition date:	2020-01-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one

KY3

KY3
Name:	(1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
Formula:	C13 H18 O4 S
SMILES:	CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2
InChi:	InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1
Definition date:	2019-11-27
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(1~{S},2~{S},4~{S},5~{R})-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid

QSM

QSM
Name:	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
Formula:	C24 H30 N2 O2
SMILES:	N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4
InChi:	InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3
Definition date:	2019-12-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole

2TI

2TI
Name:	(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Formula:	C14 H26 N2 O11 P2
SMILES:	CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O
InChi:	InChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid

RZP

RZP
Name:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Formula:	C12 H21 N O12 P2
SMILES:	CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O
InChi:	InChI=1S/C12H21NO12P2/c1-7(14)13-9(3-5-11(17)18)26(21,25-27(22,23)24)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid

RZV

RZV
Name:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
Formula:	C12 H20 N O9 P
SMILES:	CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O
InChi:	InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

RZY

RZY
Name:	(2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Formula:	C10 H19 N O10 P2
SMILES:	C[CH](NC(C)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O
InChi:	InChI=1S/C10H19NO10P2/c1-6(12)11-7(2)22(17,21-23(18,19)20)5-8(10(15)16)3-4-9(13)14/h7-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,18,19,20)/t7-,8+,22+/m0/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid

OGH

OGH
Name:	4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine
Formula:	C21 H21 F N8 O
SMILES:	CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6C(N)[CH]6C5)c23
InChi:	InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+
Definition date:	2020-03-05
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine

UMJ

UMJ
Name:	1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
Formula:	C15 H18 N2 O2
SMILES:	c2cccc(Cn1c(C(O)=O)cc(n1)C(C)(C)C)c2
InChi:	InChI=1S/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19)
Definition date:	2020-05-22
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid

UOY

UOY
Name:	4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
Formula:	C19 H22 N2 O4
SMILES:	C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C
InChi:	InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1
Definition date:	2020-05-26
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine

UP4

UP4
Name:	N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine
Formula:	C15 H19 Cl2 N O3
SMILES:	C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C
InChi:	InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1
Definition date:	2020-05-26
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine

V1P

V1P
Name:	5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide
Formula:	C24 H35 N5 O4
SMILES:	O=C(C1CN(C)C1)NC(CCCCCC(CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O
InChi:	InChI=1S/C24H35N5O4/c1-3-24(32,33)13-9-5-8-12-18(26-23(31)17-14-29(2)15-17)19-20(21(25)30)28-22(27-19)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,32-33H,3,5,8-9,12-15H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)/t18-/m0/s1
Definition date:	2020-06-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide

V1S

V1S
Name:	(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
Formula:	C28 H38 F N5 O3
SMILES:	N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O
InChi:	InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide

V27

V27
Name:	1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one
Formula:	C28 H30 F6 N2 O3
SMILES:	OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F
InChi:	InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1
Definition date:	2020-06-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one

V3S

V3S
Name:	(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
Formula:	C16 H21 N5 O2
SMILES:	c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C(C)C
InChi:	InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1
Definition date:	2020-06-22
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide

VBG

VBG
Name:	2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
Formula:	C34 H30 F8 N4 O5 S
SMILES:	O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C
InChi:	InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1
Definition date:	2020-07-22
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile

WXM

WXM
Name:	2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid
Formula:	C12 H17 B N O6 S
SMILES:	OC(=O)C[CH]1CC[CH](NC(=O)Cc2sccc2)[B-](O)(O)O1
InChi:	InChI=1S/C12H17BNO6S/c15-11(7-9-2-1-5-21-9)14-10-4-3-8(6-12(16)17)20-13(10,18)19/h1-2,5,8,10,18-19H,3-4,6-7H2,(H,14,15)(H,16,17)/q-1/t8-,10-/m0/s1
Definition date:	2019-12-11
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid

8QX

8QX
Name:	6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
Formula:	C23 H26 Br F N4 O2
SMILES:	CC(C)N1CCC[CH](C1)CN2C(=Nc3ccc(Oc4ccc(Br)cc4F)nc3C2=O)C
InChi:	InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
Definition date:	2017-08-28
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

DL9

DL9
Name:	(E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol
Formula:	C31 H35 N O2
SMILES:	OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5
InChi:	InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+
Definition date:	2019-08-13
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol

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건을2025-07-09부터공개중

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