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HIJ

HIJ
Name:	3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Formula:	C22 H24 N4 O4
SMILES:	Nc1nc(c2ccccc2)c(OCCCOc2ccccc2CCC(=O)O)c(N)n1
InChi:	InChI=1S/C22H24N4O4/c23-21-20(19(25-22(24)26-21)16-8-2-1-3-9-16)30-14-6-13-29-17-10-5-4-7-15(17)11-12-18(27)28/h1-5,7-10H,6,11-14H2,(H,27,28)(H4,23,24,25,26)
Definition date:	2023-07-21
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid

A1A0J

A1A0J
Name:	(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione
Formula:	C13 H13 N3 O3
SMILES:	O=C1NC(=O)CCC1N1c2ccccc2N(C)C1=O
InChi:	InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)/t10-/m0/s1
Definition date:	2024-07-30
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione

A1AER

A1AER
Name:	6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole
Formula:	C11 H8 F N5
SMILES:	Fc1cc2[NH]cc(/C=C/c3nnn[NH]3)c2cc1
InChi:	InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
Definition date:	2024-02-13
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole

A1H6O

A1H6O
Name:	(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[cis-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C37 H52 F N5 O5 S2
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2
InChi:	InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27+,29-,30+,32-/m1/s1
Definition date:	2024-03-26
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1H9F

A1H9F
Name:	(2S,4R)-1-[(2R)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[trans-4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C37 H52 F N5 O5 S2
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)SC[CH]5CC[CH](CC5)CN6CCOCC6)cc2
InChi:	InChI=1S/C37H52FN5O5S2/c1-24-31(49-23-40-24)28-10-8-25(9-11-28)19-39-33(45)30-18-29(44)21-43(30)34(46)32(41-35(47)37(38)12-13-37)36(2,3)50-22-27-6-4-26(5-7-27)20-42-14-16-48-17-15-42/h8-11,23,26-27,29-30,32,44H,4-7,12-22H2,1-3H3,(H,39,45)(H,41,47)/t26-,27-,29-,30+,32-/m1/s1
Definition date:	2024-04-24
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2~{S},4~{R})-1-[(2~{R})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-3-[[4-(morpholin-4-ylmethyl)cyclohexyl]methylsulfanyl]butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1IEY

A1IEY
Name:	(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate
Formula:	C19 H13 Cl F N O3
SMILES:	Fc1cc(OCc2ccccc2)ccc1C(=O)Oc3cncc(Cl)c3
InChi:	InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2
Definition date:	2024-06-17
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate

A1IF1

A1IF1
Name:	(5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate
Formula:	C14 H11 Cl F N O3
SMILES:	CCOc1ccc(c(F)c1)C(=O)Oc2cncc(Cl)c2
InChi:	InChI=1S/C14H11ClFNO3/c1-2-19-10-3-4-12(13(16)6-10)14(18)20-11-5-9(15)7-17-8-11/h3-8H,2H2,1H3
Definition date:	2024-06-27
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate

A1L10

A1L10
Name:	1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Formula:	C27 H36 F N3 O2
SMILES:	CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[CH]3CCN(C)CC34CC4)cc1
InChi:	InChI=1S/C27H36FN3O2/c1-20(2)18-33-24-10-6-21(7-11-24)16-29-26(32)31(17-22-4-8-23(28)9-5-22)25-12-15-30(3)19-27(25)13-14-27/h4-11,20,25H,12-19H2,1-3H3,(H,29,32)
Definition date:	2024-05-24
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

A1LWB

A1LWB
Name:	4-farnesyl-3,5-dihydroxy-6-methylphthalide
Formula:	C24 H32 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O
InChi:	InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3
Synonyms:	4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one
Definition date:	2024-01-15
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one

A1LWC

A1LWC
Name:	4-farnesyl-3,5-dihydroxy-6-methylphthalide-3C
Formula:	C21 H26 O6
SMILES:	CC(CCC=C(C)CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O
InChi:	InChI=1S/C21H26O6/c1-12(5-4-6-13(2)8-10-17(22)23)7-9-15-19(24)14(3)16-11-27-21(26)18(16)20(15)25/h6-7,24-25H,4-5,8-11H2,1-3H3,(H,22,23)
Synonyms:	(4~{E},8~{E})-4,8-dimethyl-10-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]deca-4,8-dienoic acid
Definition date:	2024-01-15
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(4~{E},8~{E})-4,8-dimethyl-10-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]deca-4,8-dienoic acid

A1LWD

A1LWD
Name:	O-desmethyl mycophenolic acid
Formula:	C16 H18 O6
SMILES:	CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O
InChi:	InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)
Synonyms:	(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid
Definition date:	2024-01-15
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid

IV3

IV3
Name:	ivosidenib
Formula:	C28 H22 Cl F3 N6 O3
SMILES:	FC1(F)CC(C1)NC(=O)C(c1ccccc1Cl)N(c1cc(F)cnc1)C(=O)C1CCC(=O)N1c1nccc(C#N)c1
InChi:	InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
Synonyms:	N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide
Definition date:	2023-07-04
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide

IXC

IXC
Name:	3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide
Formula:	C41 H38 N8 O3 S
SMILES:	CSc1[NH]c(c2ccnc(Nc3ccc(cc3)N3CCNCC3)c2)c(n1)c1cc(ccc1)NC(=O)c1cccc(O)c1CN1Cc2ccccc2C1=O
InChi:	InChI=1S/C41H38N8O3S/c1-53-41-46-37(38(47-41)27-16-17-43-36(23-27)44-29-12-14-31(15-13-29)48-20-18-42-19-21-48)26-7-4-8-30(22-26)45-39(51)33-10-5-11-35(50)34(33)25-49-24-28-6-2-3-9-32(28)40(49)52/h2-17,22-23,42,50H,18-21,24-25H2,1H3,(H,43,44)(H,45,51)(H,46,47)
Definition date:	2023-08-03
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide

IXR

IXR
Name:	(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Formula:	C19 H13 N3 O3 S
SMILES:	O=C(Nc1nccs1)C(c1ccccc1)N1C(=O)c2ccccc2C1=O
InChi:	InChI=1S/C19H13N3O3S/c23-16(21-19-20-10-11-26-19)15(12-6-2-1-3-7-12)22-17(24)13-8-4-5-9-14(13)18(22)25/h1-11,15H,(H,20,21,23)/t15-/m1/s1
Definition date:	2023-08-03
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	(2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

XNU

XNU
Name:	N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide
Formula:	C26 H29 F2 N5 O2 S
SMILES:	CCC(=O)NCC#Cc1cc(F)c(cc1F)OCc1nnc(SCCCCCC)n1c1cnccc1
InChi:	InChI=1S/C26H29F2N5O2S/c1-3-5-6-7-14-36-26-32-31-24(33(26)20-11-9-12-29-17-20)18-35-23-16-21(27)19(15-22(23)28)10-8-13-30-25(34)4-2/h9,11-12,15-17H,3-7,13-14,18H2,1-2H3,(H,30,34)
Definition date:	2023-11-06
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide

XO8

XO8
Name:	2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
Formula:	C30 H34 F2 N8 O3 S
SMILES:	O=C(Cn1ncc(n1)c1cc(F)c(OCc2nnc(SC3CCCCC3)n2c2cccnc2)cc1F)N1CC(C)OC(C)C1
InChi:	InChI=1S/C30H34F2N8O3S/c1-19-15-38(16-20(2)43-19)29(41)17-39-34-14-26(37-39)23-11-25(32)27(12-24(23)31)42-18-28-35-36-30(44-22-8-4-3-5-9-22)40(28)21-7-6-10-33-13-21/h6-7,10-14,19-20,22H,3-5,8-9,15-18H2,1-2H3/t19-,20+
Definition date:	2023-11-06
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one

VUZ

VUZ
Name:	~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Formula:	C22 H20 Cl N7 O
SMILES:	CCn1cc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)c4cc(Cl)ccc4n2)cn1
InChi:	InChI=1S/C22H20ClN7O/c1-3-20(31)25-15-6-5-7-16(11-15)26-21-18-10-14(23)8-9-19(18)28-22(29-21)27-17-12-24-30(4-2)13-17/h3,5-13H,1,4H2,2H3,(H,25,31)(H2,26,27,28,29)
Definition date:	2023-08-21
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide

VW6

VW6
Name:	4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline
Formula:	C20 H27 F N2 O3
SMILES:	CNc1ccc(CCc2ccc(OCCOCCOCCF)nc2)cc1
InChi:	InChI=1S/C20H27FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h4-9,16,22H,2-3,10-15H2,1H3
Definition date:	2023-08-23
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	4-[2-[6-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]pyridin-3-yl]ethyl]-~{N}-methyl-aniline

KIX

KIX
Name:	1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine
Formula:	C8 H10 B O3
SMILES:	O[B]1(O)OCCc2ccccc12
InChi:	InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2
Synonyms:	3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol
Definition date:	2023-08-14
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine

XKM

XKM
Name:	3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate
Formula:	C30 H36 F2 N6 O3 S
SMILES:	CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC(C)CCCC)n3c3cccnc3)cc2F)CC1
InChi:	InChI=1S/C30H36F2N6O3S/c1-4-5-8-21(2)42-29-36-35-28(38(29)23-9-6-13-33-19-23)20-41-24-17-26(31)25(27(32)18-24)10-7-16-40-30(39)34-22-11-14-37(3)15-12-22/h6,9,13,17-19,21-22H,4-5,8,11-12,14-16,20H2,1-3H3,(H,34,39)/t21-/m0/s1
Definition date:	2023-11-03
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate

K7R

K7R
Name:	1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone
Formula:	C17 H18 N4 O S
SMILES:	O=C(Cc1cscc1)N2CCC[CH](C2)c3[nH]nc4ncccc34
InChi:	InChI=1S/C17H18N4OS/c22-15(9-12-5-8-23-11-12)21-7-2-3-13(10-21)16-14-4-1-6-18-17(14)20-19-16/h1,4-6,8,11,13H,2-3,7,9-10H2,(H,18,19,20)/t13-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone

NOJ

NOJ
Name:	1-DEOXYNOJIRIMYCIN
Formula:	C6 H13 N O4
SMILES:	OC1C(NCC(O)C1O)CO
InChi:	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
Synonyms:	MORANOLINE
Definition date:	1999-07-08
Last modified:	2024-08-16
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

O5R

O5R
Name:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol
Formula:	C26 H48 O14
SMILES:	CCCCCCCCO[CH]1O[CH](C)[CH](O)[CH](O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C26H48O14/c1-4-5-6-7-8-9-10-35-26-23(40-25-21(34)19(32)17(30)14(11-27)38-25)22(16(29)13(3)37-26)39-24-20(33)18(31)15(28)12(2)36-24/h12-34H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23+,24-,25-,26-/m1/s1
Definition date:	2023-08-21
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol

OP6

OP6
Name:	6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine
Formula:	C26 H33 N2 O3
SMILES:	COCCOCCOCC[n+]1ccc(C=Cc2ccc3cc(ccc3c2)N(C)C)cc1
InChi:	InChI=1S/C26H33N2O3/c1-27(2)26-9-8-24-20-23(6-7-25(24)21-26)5-4-22-10-12-28(13-11-22)14-15-30-18-19-31-17-16-29-3/h4-13,20-21H,14-19H2,1-3H3/q+1
Definition date:	2023-08-24
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine

S8R

S8R
Name:	N-[4-({[(6R)-2-amino-5-formyl-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid
Formula:	C25 H30 N8 O10
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c1ccc(cc1)NCC1CNc2nc(N)nc(O)c2N1C=O)C(=O)O
InChi:	InChI=1S/C25H30N8O10/c26-25-31-20-19(22(39)32-25)33(11-34)14(10-28-20)9-27-13-3-1-12(2-4-13)21(38)30-16(24(42)43)5-7-17(35)29-15(23(40)41)6-8-18(36)37/h1-4,11,14-16,27H,5-10H2,(H,29,35)(H,30,38)(H,36,37)(H,40,41)(H,42,43)(H4,26,28,31,32,39)/t14-,15+,16+/m1/s1
Definition date:	2023-08-23
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	N-[4-({[(6R)-2-amino-5-formyl-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid

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