Chemie Search results for query - 日本蛋白質結構資料庫

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 43846 results BIRD

A1B7W

A1B7W
Name:	Adagrasib
Formula:	C32 H35 Cl F N7 O2
SMILES:	CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(=C)F)c1cccc2cccc(Cl)c21
InChi:	InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
Synonyms:	[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
Definition date:	2025-04-04
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

A1BW5

A1BW5
Name:	(6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C22 H29 N5 O2
SMILES:	CCCCOc1ccc(C2=Cc3cnc(nc3N(CCCN)C2=O)NC)c(C)c1
InChi:	InChI=1S/C22H29N5O2/c1-4-5-11-29-17-7-8-18(15(2)12-17)19-13-16-14-25-22(24-3)26-20(16)27(21(19)28)10-6-9-23/h7-8,12-14H,4-6,9-11,23H2,1-3H3,(H,24,25,26)
Definition date:	2025-02-17
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one

A1BWC

A1BWC
Name:	N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea
Formula:	C22 H22 F5 N5 O3
SMILES:	FC(F)(F)c1c[NH]c2nccc(Oc3c(F)cc(cc3F)NC(=O)NCCCN3CCOCC3)c21
InChi:	InChI=1S/C22H22F5N5O3/c23-15-10-13(31-21(33)29-3-1-5-32-6-8-34-9-7-32)11-16(24)19(15)35-17-2-4-28-20-18(17)14(12-30-20)22(25,26)27/h2,4,10-12H,1,3,5-9H2,(H,28,30)(H2,29,31,33)
Definition date:	2025-02-07
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea

A1CF1

A1CF1
Name:	(2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
Formula:	C28 H21 Cl N2 O5
SMILES:	Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
InChi:	InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m1/s1
Definition date:	2025-06-10
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid

A1EFY

A1EFY
Name:	~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide
Formula:	C12 H15 N3 O3 S
SMILES:	COc1ccc(cc1)[S](=O)(=O)NCCc2[nH]cnc2
InChi:	InChI=1S/C12H15N3O3S/c1-18-11-2-4-12(5-3-11)19(16,17)15-7-6-10-8-13-9-14-10/h2-5,8-9,15H,6-7H2,1H3,(H,13,14)
Definition date:	2024-11-19
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]-4-methoxy-benzenesulfonamide

A1EGX

A1EGX
Name:	Guaijaverin
Formula:	C20 H18 O11
SMILES:	O[CH]1CO[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH]1O
InChi:	InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
Definition date:	2024-12-03
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3-[(2~{S},3~{R},4~{S},5~{S})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-chromen-4-one

A1EGY

A1EGY
Name:	Genistin
Formula:	C21 H20 O10
SMILES:	OC[CH]1O[CH](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
Synonyms:	Genistein 7-O-glucoside
Definition date:	2024-12-03
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	7-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one

A1EHU

A1EHU
Name:	methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
Formula:	C19 H15 F N4 O2
SMILES:	COC(=O)c1c(N)n(Cc2ccc(F)cc2)c3nc4ccccc4nc13
InChi:	InChI=1S/C19H15FN4O2/c1-26-19(25)15-16-18(23-14-5-3-2-4-13(14)22-16)24(17(15)21)10-11-6-8-12(20)9-7-11/h2-9H,10,21H2,1H3
Definition date:	2024-12-12
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	methyl 2-azanyl-1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

A1EJ6

A1EJ6
Name:	3-[[4-chloranyl-2-[(2-hydroxyethylamino)methyl]-5-[[2-methyl-3-[3-[2-[2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethoxy]ethoxy]phenyl]phenyl]methoxy]phenoxy]methyl]benzenecarbonitrile
Formula:	C39 H44 Cl N3 O6
SMILES:	Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1c4cccc(OCCOCCN5CC[CH](O)C5)c4
InChi:	InChI=1S/C39H44ClN3O6/c1-28-32(8-4-10-36(28)31-7-3-9-35(20-31)47-18-17-46-16-14-43-13-11-34(45)25-43)27-49-39-22-38(33(21-37(39)40)24-42-12-15-44)48-26-30-6-2-5-29(19-30)23-41/h2-10,19-22,34,42,44-45H,11-18,24-27H2,1H3/t34-/m1/s1
Definition date:	2025-01-18
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	3-[[4-chloranyl-2-[(2-hydroxyethylamino)methyl]-5-[[2-methyl-3-[3-[2-[2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethoxy]ethoxy]phenyl]phenyl]methoxy]phenoxy]methyl]benzenecarbonitrile

A1EMM

A1EMM
Name:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide
Formula:	C66 H72 N10 O20 S4
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCOCCOCCOCCOCCC(=O)Nc4ccc(cc4)[S](=O)(=O)N(CC(N)=O)c5ccc(N(CC(N)=O)[S](=O)(=O)c6ccc(OC)cc6)c7ccccc57)cc3)c8ccccc28
InChi:	InChI=1S/C66H72N10O20S4/c1-91-47-15-23-51(24-16-47)99(87,88)75(43-63(69)79)59-29-27-57(53-7-3-5-9-55(53)59)73(41-61(67)77)97(83,84)49-19-11-45(12-20-49)71-65(81)31-33-93-35-37-95-39-40-96-38-36-94-34-32-66(82)72-46-13-21-50(22-14-46)98(85,86)74(42-62(68)78)58-28-30-60(56-10-6-4-8-54(56)58)76(44-64(70)80)100(89,90)52-25-17-48(92-2)18-26-52/h3-30H,31-44H2,1-2H3,(H2,67,77)(H2,68,78)(H2,69,79)(H2,70,80)(H,71,81)(H,72,82)
Definition date:	2025-02-28
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide

A1EMN

A1EMN
Name:	~{N},~{N}'-bis[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]pentanediamide
Formula:	C59 H58 N10 O16 S4
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCCC(=O)Nc4ccc(cc4)[S](=O)(=O)N(CC(N)=O)c5ccc(N(CC(N)=O)[S](=O)(=O)c6ccc(OC)cc6)c7ccccc57)cc3)c8ccccc28
InChi:	InChI=1S/C59H58N10O16S4/c1-84-40-18-26-44(27-19-40)88(80,81)68(36-56(62)72)52-32-30-50(46-8-3-5-10-48(46)52)66(34-54(60)70)86(76,77)42-22-14-38(15-23-42)64-58(74)12-7-13-59(75)65-39-16-24-43(25-17-39)87(78,79)67(35-55(61)71)51-31-33-53(49-11-6-4-9-47(49)51)69(37-57(63)73)89(82,83)45-28-20-41(85-2)21-29-45/h3-6,8-11,14-33H,7,12-13,34-37H2,1-2H3,(H2,60,70)(H2,61,71)(H2,62,72)(H2,63,73)(H,64,74)(H,65,75)
Definition date:	2025-02-28
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N},~{N}'-bis[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]pentanediamide

A1EQJ

A1EQJ
Name:	2-cyano-N-[(3R)-1-[(3S)-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide
Formula:	C25 H33 F N6 O2
SMILES:	CCNc1cc(F)cc2c1NC(=O)[C]2(CC)N3CCC[CH](C3)NC(=O)C4CC5(C4)CN(C5)C#N
InChi:	InChI=1S/C25H33FN6O2/c1-3-25(19-8-17(26)9-20(28-4-2)21(19)30-23(25)34)32-7-5-6-18(12-32)29-22(33)16-10-24(11-16)13-31(14-24)15-27/h8-9,16,18,28H,3-7,10-14H2,1-2H3,(H,29,33)(H,30,34)/t18-,25+/m1/s1
Definition date:	2025-05-15
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	2-cyano-~{N}-[(3~{R})-1-[(3~{S})-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide

A1IEU

A1IEU
Name:	[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C20 H24 Cl2 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O
InChi:	InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18+/m0/s1
Definition date:	2024-06-17
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1L59

A1L59
Name:	iptriazopyrid
Formula:	C15 H15 F3 N6 O4 S
SMILES:	CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
InChi:	InChI=1S/C15H15F3N6O4S/c1-7(2)29(26,27)6-11-21-22-12-9(4-5-10(24(11)12)15(16,17)18)13(25)19-14-23-20-8(3)28-14/h4-5,7H,6H2,1-3H3,(H,19,23,25)
Synonyms:	~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Definition date:	2024-11-22
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

KW4

KW4
Name:	5-methyl-D-norleucine
Formula:	C7 H15 N O2
SMILES:	CC(C)CCC(N)C(=O)O
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:	2022-02-17
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	5-methyl-D-norleucine

VDU

VDU
Name:	fluorolissoclimide
Formula:	C20 H30 F N O4
SMILES:	CC1(C)C[CH](F)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
InChi:	InChI=1S/C20H30FNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
Synonyms:	(3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-fluoranyl-5,5,8a-trimethyl-2-methylidene-3-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Definition date:	2023-09-12
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-fluoranyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

A1AIR

A1AIR
Name:	1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one
Formula:	C34 H32 F2 N6 O3 S
SMILES:	CCC(=O)N1CCn2nc(cc2C1C)c1nc(c2ccsc2c1c1c(F)cc(F)cc1OCCOC)c1ccc2n(C)ncc2c1
InChi:	InChI=1S/C34H32F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h6-8,13-19H,5,9-12H2,1-4H3/t19-/m1/s1
Definition date:	2024-03-22
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one

A1ASE

A1ASE
Name:	8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one
Formula:	C24 H25 N O5
SMILES:	OCCOc1ccc2c(OC(=O)C=C2CCC)c1C(=O)N1CCCc2ccccc21
InChi:	InChI=1S/C24H25NO5/c1-2-6-17-15-21(27)30-23-18(17)10-11-20(29-14-13-26)22(23)24(28)25-12-5-8-16-7-3-4-9-19(16)25/h3-4,7,9-11,15,26H,2,5-6,8,12-14H2,1H3
Synonyms:	obex 5c
Definition date:	2024-05-16
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one

A1AZB

A1AZB
Name:	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide
Formula:	C18 H16 F N5 O S
SMILES:	Cc1nc(NC(N)=N)sc1c1cccc(NC(=O)c2ccc(F)cc2)c1
InChi:	InChI=1S/C18H16FN5OS/c1-10-15(26-18(22-10)24-17(20)21)12-3-2-4-14(9-12)23-16(25)11-5-7-13(19)8-6-11/h2-9H,1H3,(H,23,25)(H4,20,21,22,24)
Definition date:	2024-07-15
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide

A1B8A

A1B8A
Name:	3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)
Formula:	C16 H27 N8 O7 P
SMILES:	NCCCCC(N)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C16H27N8O7P/c17-4-2-1-3-8(18)15(26)23-10-9(5-30-32(27,28)29)31-16(12(10)25)24-7-22-11-13(19)20-6-21-14(11)24/h6-10,12,16,25H,1-5,17-18H2,(H,23,26)(H2,19,20,21)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1
Definition date:	2025-04-09
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)

A1A8B

A1A8B
Name:	(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate
Formula:	C90 H105 O39 P
SMILES:	CCCCCCCCC(C)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O
InChi:	InChI=1S/C90H165O39P/c1-5-8-11-14-17-19-21-23-25-27-29-35-40-45-62(93)115-50-56(120-64(95)47-42-37-32-31-34-39-44-55(4)43-38-33-16-13-10-7-3)51-119-130(113,114)129-85-82(126-88-80(111)72(103)67(98)59(124-88)52-116-63(94)46-41-36-30-28-26-24-22-20-18-15-12-9-6-2)76(107)74(105)77(108)83(85)127-89-81(112)73(104)69(100)61(125-89)53-117-86-78(109)71(102)68(99)60(123-86)54-118-90-84(75(106)66(97)58(49-92)122-90)128-87-79(110)70(101)65(96)57(48-91)121-87/h55-61,65-92,96-112H,5-54H2,1-4H3,(H,113,114)/t55?,56?,57-,58-,59+,60-,61-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82-,83-,84+,85-,86-,87+,88-,89-,90+/m1/s1
Definition date:	2024-09-19
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate

A1BV8

A1BV8
Name:	(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one
Formula:	C26 H27 Cl N4 O2
SMILES:	Cc1cccc(n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c(Cl)c1
InChi:	InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3
Definition date:	2025-02-05
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one

A1EBE

A1EBE
Name:	ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
Formula:	C29 H34 N6 O3
SMILES:	CCOC(=O)c1n2ccccc2nc1C3CN(C3)c4cc(C(=O)CNCN(CC)CC)c5ccccc5n4
InChi:	InChI=1S/C29H34N6O3/c1-4-33(5-2)19-30-16-24(36)22-15-26(31-23-12-8-7-11-21(22)23)34-17-20(18-34)27-28(29(37)38-6-3)35-14-10-9-13-25(35)32-27/h7-15,20,30H,4-6,16-19H2,1-3H3
Definition date:	2024-09-03
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	ethyl 2-[1-[4-[2-(diethylaminomethylamino)ethanoyl]quinolin-2-yl]azetidin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate

A1EGV

A1EGV
Name:	Astragalin
Formula:	C21 H20 O11
SMILES:	OC[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
Synonyms:	Kaempferol 3-O-glucoside
Definition date:	2024-12-03
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one

A1ISP

A1ISP
Name:	2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1S,2R,5S)-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione
Formula:	C22 H26 N4 O4
SMILES:	CCN[CH]1CC[CH]2CC[CH]1N2c3ccc4C(=O)N([CH]5CCC(=O)NC5=O)C(=O)c4c3
InChi:	InChI=1S/C22H26N4O4/c1-2-23-16-7-4-12-5-8-17(16)25(12)13-3-6-14-15(11-13)22(30)26(21(14)29)18-9-10-19(27)24-20(18)28/h3,6,11-12,16-18,23H,2,4-5,7-10H2,1H3,(H,24,27,28)/t12-,16+,17-,18-/m0/s1
Definition date:	2024-10-25
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1~{S},2~{R},5~{S})-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione

12 3 4 5 6 7 8 9 10 11 12 13 14 15 16 >

237992

數據於2025-06-25公開中

PDB statistics

PDBj update info

Contact PDBj

numon