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PDB Info pages Status search Chemie search: 43884 results BIRD

QDE

QDE
Name:	~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
Formula:	C18 H24 N4 O4 S
SMILES:	COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23
InChi:	InChI=1S/C18H24N4O4S/c1-21(2)12-13-5-6-17-16(9-13)22(7-8-26-17)14-10-15(20-27(4,23)24)18(25-3)19-11-14/h5-6,9-11,20H,7-8,12H2,1-4H3
Definition date:	2020-06-08
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide

J1X

J1X
Name:	3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
Formula:	C18 H12 F3 N7 O
SMILES:	C(=O)(c1cc(C(F)(F)F)cc(c1)n2cccn2)Nc3cccc(c3)c4nnnn4
InChi:	InChI=1S/C18H12F3N7O/c19-18(20,21)13-7-12(9-15(10-13)28-6-2-5-22-28)17(29)23-14-4-1-3-11(8-14)16-24-26-27-25-16/h1-10H,(H,23,29)(H,24,25,26,27)
Definition date:	2019-04-24
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide

U2J

U2J
Name:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1
Definition date:	2020-04-09
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

U3G

U3G
Name:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Formula:	C43 H76 N O8 P
SMILES:	[C@H](=CCCCCCCCC)CCCCCCCC(=O)OC(COC(CCCC=C/CC=[C@H]CC=[C@H]C[C@H]=[C@H]CCCCC)=O)COP(O)(=O)OCCN
InChi:	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
Definition date:	2020-04-13
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

U3V

U3V
Name:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Formula:	C24 H38 N6 O4
SMILES:	c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O
InChi:	InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

U3Y

U3Y
Name:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

U6D

U6D
Name:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Formula:	C28 H33 F4 N3 O
SMILES:	C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C
InChi:	InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1
Definition date:	2020-04-27
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline

V3J

V3J
Name:	(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Formula:	C11 H11 N3 O2 S
SMILES:	C3N(C(c2ccc1c(nns1)c2)=O)CCOC3
InChi:	InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
Definition date:	2020-06-19
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

M83

M83
Name:	5-(3-cyanophenyl)furan-2-carboxylic acid
Formula:	C12 H7 N O3
SMILES:	OC(=O)c1oc(cc1)c2cccc(c2)C#N
InChi:	InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15)
Definition date:	2020-06-05
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5-(3-cyanophenyl)furan-2-carboxylic acid

K3Q

K3Q
Name:	3,6-O-dimethyl-D-glucose
Formula:	C8 H16 O6
SMILES:	COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O
InChi:	InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1
Definition date:	2019-04-17
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol

K42

K42
Name:	4-(2-azanylethoxy)phenol
Formula:	C8 H11 N O2
SMILES:	NCCOc1ccc(O)cc1
InChi:	InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2
Definition date:	2019-04-18
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(2-azanylethoxy)phenol

BUX

BUX
Name:	7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
Formula:	C13 H6 Cl2 N2 O4
SMILES:	ClC1=CC2=C(C(=O)O1)C(=O)N=C(Nc3cccc(Cl)c3)O2
InChi:	InChI=1S/C13H6Cl2N2O4/c14-6-2-1-3-7(4-6)16-13-17-11(18)10-8(20-13)5-9(15)21-12(10)19/h1-5H,(H,16,17,18)
Definition date:	2019-03-07
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione

P92

P92
Name:	3~{H}-1,3-benzoxazole-2-thione
Formula:	C7 H5 N O S
SMILES:	S=C1Nc2ccccc2O1
InChi:	InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
Definition date:	2020-04-18
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	3~{H}-1,3-benzoxazole-2-thione

P9E

P9E
Name:	2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide
Formula:	C7 H6 N2 O3 S2
SMILES:	N[S](=O)(=O)c1ccc2OC(=S)Nc2c1
InChi:	InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11)
Definition date:	2020-04-18
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide

D6F

D6F
Name:	4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
Formula:	C39 H39 N4
SMILES:	CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6
InChi:	InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3
Synonyms:	4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline
Definition date:	2019-07-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline

EY1

EY1
Name:	2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide
Formula:	C20 H24 N4 O S
SMILES:	c1cc(ccc1C24CC3CC(CC(C2)C3)C4)NC(=O)CSc5nncn5
InChi:	InChI=1S/C20H24N4OS/c25-18(11-26-19-21-12-22-24-19)23-17-3-1-16(2-4-17)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2,(H,23,25)(H,21,22,24)/t13-,14+,15-,20-
Definition date:	2018-02-12
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide

G4P

G4P
Name:	GUANOSINE-5',3'-TETRAPHOSPHATE
Formula:	C10 H17 N5 O17 P4
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O
InChi:	InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
Synonyms:	guanosine tetraphosphate
Definition date:	2002-05-16
Last modified:	2020-06-24
Identifier:	guanosine 3',5'-bis(trihydrogen diphosphate)

PSJ

PSJ
Name:	D-psicose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
Definition date:	2009-09-09
Last modified:	2020-06-24
Identifier:	D-psicose

SDD

SDD
Name:	D-sorbose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1
Definition date:	2012-02-11
Last modified:	2020-06-24
Identifier:	D-sorbose

ROR

ROR
Name:	L-ribose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1
Definition date:	2013-12-10
Last modified:	2020-06-24
Release date:	2014-05-28
Identifier:	L-ribose

SOL

SOL
Name:	L-sorbose
Formula:	C6 H12 O6
SMILES:	O=C(C(O)C(O)C(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1
Definition date:	2010-05-14
Last modified:	2020-06-24
Identifier:	L-sorbose

RB5

RB5
Name:	D-ribose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1
Definition date:	2010-06-21
Last modified:	2020-06-24
Identifier:	D-ribose

REL

REL
Name:	D-glucuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C(O)C(O)C(O)C(O)C=O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1
Synonyms:	D-Glucuronate
Definition date:	2009-05-26
Last modified:	2020-06-24
Identifier:	D-glucuronic acid

QDK

QDK
Name:	L-ribulose
Formula:	C5 H10 O5
SMILES:	O=C(CO)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
Definition date:	2011-01-25
Last modified:	2020-06-24
Identifier:	L-ribulose

3BU

3BU
Name:	L-allose
Formula:	C6 H12 O6
SMILES:	O=CC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1
Definition date:	2014-07-23
Last modified:	2020-06-24
Release date:	2015-04-29
Identifier:	L-allose

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