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Q2M

Q2M
Name:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
Formula:	C23 H32 N8 O5 S
SMILES:	c2nc1n(cnc1c(n2)N)C5C(C(O)C(CN(CCC(C(=O)O)N)CC3CN(C3)Cc4cccs4)O5)O
InChi:	InChI=1S/C23H32N8O5S/c24-15(23(34)35)3-4-29(6-13-7-30(8-13)9-14-2-1-5-37-14)10-16-18(32)19(33)22(36-16)31-12-28-17-20(25)26-11-27-21(17)31/h1-2,5,11-13,15-16,18-19,22,32-33H,3-4,6-10,24H2,(H,34,35)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1
Definition date:	2019-09-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine

Q2P

Q2P
Name:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
Formula:	C25 H33 Cl N8 O5
SMILES:	c2nc1n(cnc1c(N)n2)C5C(C(O)C(CN(CC3CN(C3)Cc4cccc(c4)Cl)CCC(C(O)=O)N)O5)O
InChi:	InChI=1S/C25H33ClN8O5/c26-16-3-1-2-14(6-16)7-33-9-15(10-33)8-32(5-4-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-3,6,12-13,15,17-18,20-21,24,35-36H,4-5,7-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1
Definition date:	2019-09-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine

Q2V

Q2V
Name:	5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine
Formula:	C33 H42 N8 O5
SMILES:	n6cnc5n(C4OC(CN(CC3CN(CCC(c1ccccc1)c2ccccc2)C3)CCC(C(=O)O)N)C(C4O)O)cnc5c6N
InChi:	InChI=1S/C33H42N8O5/c34-25(33(44)45)12-14-40(18-26-28(42)29(43)32(46-26)41-20-38-27-30(35)36-19-37-31(27)41)17-21-15-39(16-21)13-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,19-21,24-26,28-29,32,42-43H,11-18,34H2,(H,44,45)(H2,35,36,37)/t25-,26+,28+,29+,32+/m0/s1
Definition date:	2019-09-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine

Q34

Q34
Name:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
Formula:	C25 H33 Cl N8 O5
SMILES:	O=C(O)C(N)CCN(CC1CN(C1)Cc2ccc(cc2)Cl)CC3C(O)C(O)C(O3)n5c4ncnc(c4nc5)N
InChi:	InChI=1S/C25H33ClN8O5/c26-16-3-1-14(2-4-16)7-33-9-15(10-33)8-32(6-5-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-4,12-13,15,17-18,20-21,24,35-36H,5-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1
Definition date:	2019-09-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine

OWB

OWB
Name:	~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
Formula:	C22 H23 N5 O2
SMILES:	CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4CCCNC4)c1
InChi:	InChI=1S/C22H23N5O2/c1-15(28)25-18-5-2-6-19(12-18)29-21-13-20(17-4-3-9-24-14-17)26-22(27-21)16-7-10-23-11-8-16/h2,5-8,10-13,17,24H,3-4,9,14H2,1H3,(H,25,28)/t17-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide

PQ8

PQ8
Name:	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
Formula:	C22 H26 N4 O7
SMILES:	CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1
InChi:	InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30)
Definition date:	2020-04-27
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid

7ZW

7ZW
Name:	2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide
Formula:	C16 H18 F3 N3 O3
SMILES:	CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
InChi:	InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1
Definition date:	2020-03-12
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide

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

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

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

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

FN0

FN0
Name:	(3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
Formula:	C17 H21 F3 O3
SMILES:	CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1
Definition date:	2020-06-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one

G6R

G6R
Name:	N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
Formula:	C34 H42 F2 N4 O6 S2
SMILES:	c7c(CC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(n2)NC3CC3)(=O)=O)O)NC(CC6C5CC4C6COC4OC5)=O)cc(cc7F)F
InChi:	InChI=1S/C34H42F2N4O6S2/c1-18(2)14-40(48(43,44)24-5-6-28-31(12-24)47-34(39-28)37-23-3-4-23)15-30(41)29(9-19-7-21(35)11-22(36)8-19)38-32(42)13-25-20-10-26-27(25)17-46-33(26)45-16-20/h5-8,11-12,18,20,23,25-27,29-30,33,41H,3-4,9-10,13-17H2,1-2H3,(H,37,39)(H,38,42)/t20-,25+,26-,27+,29+,30-,33+/m1/s1
Definition date:	2019-12-31
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide

LAI

LAI
Name:	L-arabinose
Formula:	C5 H10 O5
SMILES:	OCC(C(C(C=O)O)O)O
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:	2010-01-27
Last modified:	2020-06-24
Identifier:	L-arabinose

LTG

LTG
Name:	L-tagatose
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:	2014-07-22
Last modified:	2020-06-24
Release date:	2014-10-22
Identifier:	L-tagatose

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

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

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

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

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

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

LPK

LPK
Name:	L-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+/m0/s1
Definition date:	2014-07-03
Last modified:	2020-06-24
Release date:	2015-04-29
Identifier:	L-psicose

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

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

8YV

8YV
Name:	2-keto-D-gluconic acid
Formula:	C6 H10 O7
SMILES:	C(C(CO)O)(O)C(C(C(=O)O)=O)O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1
Synonyms:	(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
Definition date:	2017-03-21
Last modified:	2020-06-24
Release date:	2017-03-29
Identifier:	D-fructosonic acid

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