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: 1127 results BIRD

VQN

VQN
Name:	(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C46 H57 F N8 O9
SMILES:	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=CC(=O)N3CCN(CC3)CC4CCN(CC4)c5cc6C(=O)N([CH]7CCC(=O)NC7=O)C(=O)c6cc5F
InChi:	InChI=1S/C46H57FN8O9/c1-28(2)22-36(50-46(63)64-27-30-6-4-3-5-7-30)42(59)49-32(23-31-12-15-48-41(31)58)8-11-40(57)54-20-18-52(19-21-54)26-29-13-16-53(17-14-29)38-25-34-33(24-35(38)47)44(61)55(45(34)62)37-9-10-39(56)51-43(37)60/h3-8,11,24-25,28-29,31-32,36-37H,9-10,12-23,26-27H2,1-2H3,(H,48,58)(H,49,59)(H,50,63)(H,51,56,60)/b11-8-/t31-,32-,36-,37-/m1/s1
Definition date:	2023-03-28
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	(phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

WQR

WQR
Name:	3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al
Formula:	C30 H48 O2
SMILES:	C/C(C)=CCCC(C)C1CCC2(C=O)C=3CCC4C(C)(CCC(O)C4(C)C)C=3CCC12C
InChi:	InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1
Definition date:	2023-05-15
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al

YZV

YZV
Name:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol
Formula:	C21 H29 F2 N5 O2
SMILES:	FC(F)(c1ccccc1)C(O)/C=C/C1CCC(O)N1CCCCCCc1nnn[NH]1
InChi:	InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,20,29-30H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18-,20-/m0/s1
Definition date:	2023-03-06
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol

SIT

SIT
Name:	De-acetylated Fusicoccin
Formula:	C34 H54 O11
SMILES:	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O
InChi:	InChI=1S/C34H54O11/c1-9-33(5,6)43-16-24-28(38)29(39)30(40)32(44-24)45-31-26-22(17(2)14-42-19(4)35)12-25(36)34(26,7)13-23-20(15-41-8)10-11-21(23)18(3)27(31)37/h9,13,17-18,20-21,24-25,27-32,36-40H,1,10-12,14-16H2,2-8H3/b23-13-/t17-,18-,20-,21+,24-,25+,27-,28-,29+,30-,31-,32-,34+/m1/s1
Synonyms:	[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate
Definition date:	2022-12-15
Last modified:	2023-12-22
Release date:	2023-12-27
Identifier:	[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl] ethanoate

XOI

XOI
Name:	1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one
Formula:	C29 H30 Cl F4 N7 O3
SMILES:	FC(F)(F)c1c(C)cc(N)nc1c1cc2nc(OCC3CC(F)CN3C)nc3N4CCN(CC4COc(c32)c1Cl)C(=O)C=C
InChi:	InChI=1S/C29H30ClF4N7O3/c1-4-21(42)40-5-6-41-17(11-40)13-43-26-22-19(36-28(38-27(22)41)44-12-16-8-15(31)10-39(16)3)9-18(24(26)30)25-23(29(32,33)34)14(2)7-20(35)37-25/h4,7,9,15-17H,1,5-6,8,10-13H2,2-3H3,(H2,35,37)/t15-,16+,17+/m1/s1
Definition date:	2023-11-06
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one

XQ6

XQ6
Name:	(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one
Formula:	C41 H43 Cl F4 N8 O2
SMILES:	FC(F)(F)c1c(C)cc(N)nc1c1c(F)c2nc(nc(N3CCN(CC3C)C(=O)/C=C/c3cccc4CCNCc43)c2cc1Cl)OCC12CC(=C)CN2CCC1
InChi:	InChI=1S/C41H43ClF4N8O2/c1-23-18-40(11-5-13-53(40)20-23)22-56-39-50-36-28(17-30(42)33(35(36)43)37-34(41(44,45)46)24(2)16-31(47)49-37)38(51-39)54-15-14-52(21-25(54)3)32(55)9-8-26-6-4-7-27-10-12-48-19-29(26)27/h4,6-9,16-17,25,48H,1,5,10-15,18-22H2,2-3H3,(H2,47,49)/b9-8+/t25-,40-/m0/s1
Definition date:	2023-11-08
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one

XV3

XV3
Name:	(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one
Formula:	C41 H46 Cl F4 N9 O2
SMILES:	CN(C)Cc1cc(ncc1C)/C=C/C(=O)N1CC(C)N(CC1)c1nc(nc2c(F)c(c3nc(N)cc(C)c3C(F)(F)F)c(Cl)cc21)OCC12CC(=C)CN2CCC1
InChi:	InChI=1S/C41H46ClF4N9O2/c1-23-17-40(10-7-11-54(40)19-23)22-57-39-50-36-29(16-30(42)33(35(36)43)37-34(41(44,45)46)24(2)14-31(47)49-37)38(51-39)55-13-12-53(20-26(55)4)32(56)9-8-28-15-27(21-52(5)6)25(3)18-48-28/h8-9,14-16,18,26H,1,7,10-13,17,19-22H2,2-6H3,(H2,47,49)/b9-8+/t26-,40-/m0/s1
Definition date:	2023-11-13
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	(2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-{4-[(dimethylamino)methyl]-5-methylpyridin-2-yl}prop-2-en-1-one

T5I

T5I
Name:	2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one
Formula:	C19 H25 Cl O6 S Si
SMILES:	C[Si](C)(C)CCOc1c(Cl)c(ccc1[S](C)(=O)=O)C(=O)C2=C(O)CCCC2=O
InChi:	InChI=1S/C19H25ClO6SSi/c1-27(24,25)15-9-8-12(17(20)19(15)26-10-11-28(2,3)4)18(23)16-13(21)6-5-7-14(16)22/h8-9,21H,5-7,10-11H2,1-4H3
Definition date:	2023-04-19
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	2-[2-chloranyl-4-methylsulfonyl-3-(2-trimethylsilylethoxy)phenyl]carbonyl-3-oxidanyl-cyclohex-2-en-1-one

T9O

T9O
Name:	(5R)-2-butanimidoyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one
Formula:	C15 H25 N O2 S
SMILES:	CCCC(=N)C1=C(O)C[CH](C[CH](C)SCC)CC1=O
InChi:	InChI=1S/C15H25NO2S/c1-4-6-12(16)15-13(17)8-11(9-14(15)18)7-10(3)19-5-2/h10-11,16-17H,4-9H2,1-3H3/b16-12+/t10-,11-/m1/s1
Definition date:	2023-04-20
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	(5~{R})-2-butanimidoyl-5-[(2~{R})-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one

Y4T

Y4T
Name:	(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol
Formula:	C18 H18 O2
SMILES:	Oc1ccc(cc1CC=C)c1cc(CC=C)ccc1O
InChi:	InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
Synonyms:	Honokiol
Definition date:	2023-11-20
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol

SX9

SX9
Name:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one
Formula:	C15 H20 N2 O
SMILES:	O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1
InChi:	InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one

QYF

QYF
Name:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
Formula:	C49 H69 N9 O16
SMILES:	OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1
Definition date:	2022-11-16
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid

BMT

BMT
Name:	4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
Formula:	C10 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)C
InChi:	InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

TYT

TYT
Name:	TYROSINE DERIVATIVE
Formula:	C18 H20 N2 O4
SMILES:	O=C(O)C(N)CC3C(=O)C=C(O)/C(=N/C2CC2c1ccccc1)C3
InChi:	InChI=1S/C18H20N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,9,11-14,22H,6-8,19H2,(H,23,24)/b20-15+
Synonyms:	2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID
Definition date:	2002-06-21
Last modified:	2023-11-03
Identifier:	3-{(5E)-4-hydroxy-2-oxo-5-[(2-phenylcyclopropyl)imino]cyclohex-3-en-1-yl}alanine

9KP

9KP
Name:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
Formula:	C17 H20 N2 O6
SMILES:	C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1
InChi:	InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1
Definition date:	2017-05-18
Last modified:	2023-11-03
Release date:	2019-04-10
Identifier:	(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine

MBQ

MBQ
Name:	2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
Formula:	C20 H22 N2 O6
SMILES:	O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:	InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
Definition date:	2004-03-04
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

4L0

4L0
Name:	(4R)-1-acetyl-4-(hexyloxy)-L-proline
Formula:	C13 H23 N O4
SMILES:	N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O
InChi:	InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
Synonyms:	(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)
Definition date:	2015-04-02
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(hexyloxy)-L-proline

OK9

OK9
Name:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:	C16 H16 N2 O3 S2
SMILES:	O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:	InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide

P2Q

P2Q
Name:	2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine
Formula:	C20 H22 N2 O6
SMILES:	N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1
Synonyms:	3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
Definition date:	2009-11-10
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid

P3Q

P3Q
Name:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
Formula:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
Definition date:	2009-11-19
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

AKK

AKK
Name:	(1Z)-prop-1-en-1-amine
Formula:	C3 H7 N
SMILES:	C(=CN)C
InChi:	InChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3/b3-2-
Definition date:	2011-03-25
Last modified:	2023-11-03
Identifier:	(1Z)-prop-1-en-1-amine

DMT

DMT
Name:	3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID
Formula:	C11 H21 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)(C)C
InChi:	InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid

IP8

IP8
Name:	Isopentenyl phosphate
Formula:	C5 H11 O4 P
SMILES:	O=P(OCCC(=C)C)(O)O
InChi:	InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
Synonyms:	3-methylbut-3-en-1-yl dihydrogen phosphate
Definition date:	2009-10-21
Last modified:	2023-11-03
Identifier:	3-methylbut-3-en-1-yl dihydrogen phosphate

<123 4 5 6 7 8 9 10 11 12 13 14 15 16 >

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon