Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 36426 results BIRD

X8B

X8B
Name:	(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid
Formula:	C14 H15 N2 O7 P
SMILES:	Oc1c(C=C2/CC(=CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C14H15N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h3-5,15,17H,2,6H2,1H3,(H,18,19)(H2,20,21,22)/b8-3+,15-12+
Synonyms:	3-Amino-4-fluorocyclopentenecarboxylic Acid
Definition date:	2022-11-06
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid

X8H

X8H
Name:	(1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
Formula:	C14 H19 N2 O7 P
SMILES:	Oc1c(CC2CC(CC2=N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C14H19N2O7P/c1-7-13(17)11(10(5-16-7)6-23-24(20,21)22)3-8-2-9(14(18)19)4-12(8)15/h5,8-9,15,17H,2-4,6H2,1H3,(H,18,19)(H2,20,21,22)/b15-12-/t8-,9+/m0/s1
Definition date:	2022-11-06
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid

YOH

YOH
Name:	N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine
Formula:	C25 H44 N6 O2
SMILES:	CN(C)CCCCCCNc1nc(nc2cc(OC)c(cc21)OC)NCCCCCN(C)C
InChi:	InChI=1S/C25H44N6O2/c1-30(2)16-12-8-7-10-14-26-24-20-18-22(32-5)23(33-6)19-21(20)28-25(29-24)27-15-11-9-13-17-31(3)4/h18-19H,7-17H2,1-6H3,(H2,26,27,28,29)
Definition date:	2023-02-14
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine

YOO

YOO
Name:	3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
Formula:	C24 H31 N3 O4 S
SMILES:	O=S(=O)(c1ccc(NC(=O)c2cc(cc(OC)c2)C2CCN(C)CC2)cc1)N1CCCC1
InChi:	InChI=1S/C24H31N3O4S/c1-26-13-9-18(10-14-26)19-15-20(17-22(16-19)31-2)24(28)25-21-5-7-23(8-6-21)32(29,30)27-11-3-4-12-27/h5-8,15-18H,3-4,9-14H2,1-2H3,(H,25,28)
Definition date:	2023-02-15
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide

WSW

WSW
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol
Formula:	C25 H30 N4 O6 S
SMILES:	CS(=O)(=O)c1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1cccnn1
InChi:	InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-6-3-7-27-28-21)9-19(11-20)26-12-16-4-2-5-17(8-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[3-({[(5M)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol

WT0

WT0
Name:	(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C21 H27 Br N2 O6 S
SMILES:	CS(=O)(=O)c1cc(cc(Br)c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1
InChi:	InChI=1S/C21H27BrN2O6S/c1-31(29,30)17-7-15(22)6-16(8-17)23-9-13-3-2-4-14(5-13)10-24-11-19(26)21(28)20(27)18(24)12-25/h2-8,18-21,23,25-28H,9-12H2,1H3/t18-,19+,20-,21-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-[(3-{[3-bromo-5-(methanesulfonyl)anilino]methyl}phenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

WT5

WT5
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol
Formula:	C24 H30 N4 O4
SMILES:	Cc1cc(cc(c1)c1ccc[NH]1)NCc1nc(CN2CC(O)C(O)C(O)C2CO)ccc1
InChi:	InChI=1S/C24H30N4O4/c1-15-8-16(20-6-3-7-25-20)10-19(9-15)26-11-17-4-2-5-18(27-17)12-28-13-22(30)24(32)23(31)21(28)14-29/h2-10,21-26,29-32H,11-14H2,1H3/t21-,22+,23-,24-/m1/s1
Definition date:	2022-10-18
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[6-({[(5M)-3-methyl-5-(1H-pyrrol-2-yl)phenyl]amino}methyl)pyridin-2-yl]methyl}piperidine-3,4,5-triol

UKF

UKF
Name:	(2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C24 H35 N5 O7
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(on1)C1CCC1
InChi:	InChI=1S/C24H35N5O7/c30-14-19-21(32)22(33)20(31)13-28(19)11-4-2-1-3-10-25-17-9-8-16(12-18(17)29(34)35)23-26-24(36-27-23)15-6-5-7-15/h8-9,12,15,19-22,25,30-33H,1-7,10-11,13-14H2/t19-,20+,21-,22-/m1/s1
Definition date:	2022-08-22
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

WUR

WUR
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol
Formula:	C24 H33 N5 O4
SMILES:	Cc1nc2cc(ccc2n1CCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1
InChi:	InChI=1S/C24H33N5O4/c1-16-27-18-13-17(24-25-9-6-10-26-24)7-8-19(18)29(16)12-5-3-2-4-11-28-14-21(31)23(33)22(32)20(28)15-30/h6-10,13,20-23,30-33H,2-5,11-12,14-15H2,1H3/t20-,21+,22-,23-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-methyl-5-(pyrimidin-2-yl)-1H-benzimidazol-1-yl]hexyl}piperidine-3,4,5-triol

WV5

WV5
Name:	(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C18 H31 N O5
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCCCc1ccco1
InChi:	InChI=1S/C18H31NO5/c20-13-15-17(22)18(23)16(21)12-19(15)10-6-4-2-1-3-5-8-14-9-7-11-24-14/h7,9,11,15-18,20-23H,1-6,8,10,12-13H2/t15-,16+,17-,18-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

WV9

WV9
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol
Formula:	C20 H33 N O5
SMILES:	COCCc1ccc(cc1)CCCCCN1CC(O)C(O)C(O)C1CO
InChi:	InChI=1S/C20H33NO5/c1-26-12-10-16-8-6-15(7-9-16)5-3-2-4-11-21-13-18(23)20(25)19(24)17(21)14-22/h6-9,17-20,22-25H,2-5,10-14H2,1H3/t17-,18+,19-,20-/m1/s1
Definition date:	2022-10-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol

WFB

WFB
Name:	4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)
Formula:	C21 H18 N6
SMILES:	N=C(N)c1ccc(cc1)c1ccc2nc([NH]c2c1)c1ccc(cc1)C(=N)N
InChi:	InChI=1S/C21H18N6/c22-19(23)13-3-1-12(2-4-13)16-9-10-17-18(11-16)27-21(26-17)15-7-5-14(6-8-15)20(24)25/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Definition date:	2022-09-06
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide)

UPH

UPH
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol
Formula:	C24 H38 N4 O7
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2
InChi:	InChI=1S/C24H38N4O7/c29-13-21-23(31)24(32)22(30)12-26(21)10-4-2-1-3-9-25-19-8-7-16(11-20(19)28(33)34)27-17-5-6-18(27)15-35-14-17/h7-8,11,17-18,21-25,29-32H,1-6,9-10,12-15H2/t17-,18+,21-,22+,23-,24-/m1/s1
Definition date:	2022-08-23
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol

WZU

WZU
Name:	(7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione
Formula:	C18 H22 N6 O3
SMILES:	O=C1NCCCNC(=O)OC2CC(CC2)c2cc(n[NH]2)Nc2cccc1n2
InChi:	InChI=1S/C18H22N6O3/c25-17-13-3-1-4-15(21-13)22-16-10-14(23-24-16)11-5-6-12(9-11)27-18(26)20-8-2-7-19-17/h1,3-4,10-12H,2,5-9H2,(H,19,25)(H,20,26)(H2,21,22,23,24)/t11-,12+/m0/s1
Definition date:	2022-10-25
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3,6(25),19,21-pentaene-12,18-dione

WZZ

WZZ
Name:	(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate
Formula:	C17 H23 N5 O2
SMILES:	CC(C)NC(=O)OC1CCC(C1)c1cc(Nc2ncccc2)n[NH]1
InChi:	InChI=1S/C17H23N5O2/c1-11(2)19-17(23)24-13-7-6-12(9-13)14-10-16(22-21-14)20-15-5-3-4-8-18-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,19,23)(H2,18,20,21,22)/t12-,13+/m0/s1
Definition date:	2022-10-25
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate

XG5

XG5
Name:	(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C20 H26 N8 O6
SMILES:	[O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCc1cncc(CCN2CC(O)C(O)C(O)C2CO)n1
InChi:	InChI=1S/C20H26N8O6/c21-26-25-12-1-2-15(16(7-12)28(33)34)23-5-3-13-8-22-9-14(24-13)4-6-27-10-18(30)20(32)19(31)17(27)11-29/h1-2,7-9,17-20,23,29-32H,3-6,10-11H2/t17-,18+,19-,20-/m1/s1
Definition date:	2022-11-15
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

UQH

UQH
Name:	(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C25 H36 N4 O4
SMILES:	OCC1C(O)C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cccnn1
InChi:	InChI=1S/C25H36N4O4/c30-16-22-24(32)25(33)23(31)15-29(22)11-4-2-1-3-9-26-20-13-18(17-7-8-17)12-19(14-20)21-6-5-10-27-28-21/h5-6,10,12-14,17,22-26,30-33H,1-4,7-9,11,15-16H2/t22-,23+,24-,25-/m1/s1
Definition date:	2022-08-23
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

WJF

WJF
Name:	(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula:	C24 H29 Cl N4 O5
SMILES:	OCC1C(O)C(O)C(O)CN1CCc1ccc(cc1)CCNc1cc(Cl)cc(c1)c1ncon1
InChi:	InChI=1S/C24H29ClN4O5/c25-18-9-17(24-27-14-34-28-24)10-19(11-18)26-7-5-15-1-3-16(4-2-15)6-8-29-12-21(31)23(33)22(32)20(29)13-30/h1-4,9-11,14,20-23,26,30-33H,5-8,12-13H2/t20-,21+,22-,23-/m1/s1
Definition date:	2022-09-14
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol

WJO

WJO
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol
Formula:	C24 H33 N3 O5
SMILES:	OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1)N1CCOCC1
InChi:	InChI=1S/C24H33N3O5/c28-16-21-23(30)24(31)22(29)15-27(21)14-18-3-1-17(2-4-18)13-25-19-5-7-20(8-6-19)26-9-11-32-12-10-26/h1-8,21-25,28-31H,9-16H2/t21-,22+,23-,24-/m1/s1
Definition date:	2022-09-15
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol

WJT

WJT
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol
Formula:	C25 H30 N4 O6 S
SMILES:	CS(=O)(=O)c1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1
InChi:	InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-3-2-8-27-28-21)9-19(11-20)26-12-16-4-6-17(7-5-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1
Definition date:	2022-09-16
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol

WLQ

WLQ
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol
Formula:	C25 H30 N4 O4
SMILES:	Cc1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1
InChi:	InChI=1S/C25H30N4O4/c1-16-9-19(21-3-2-8-27-28-21)11-20(10-16)26-12-17-4-6-18(7-5-17)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1
Definition date:	2022-09-28
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol

WM0

WM0
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol
Formula:	C26 H34 N4 O7
SMILES:	OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2
InChi:	InChI=1S/C26H34N4O7/c31-13-23-25(33)26(34)24(32)12-28(23)11-17-3-1-16(2-4-17)10-27-21-8-7-18(9-22(21)30(35)36)29-19-5-6-20(29)15-37-14-19/h1-4,7-9,19-20,23-27,31-34H,5-6,10-15H2/t19-,20+,23-,24+,25-,26-/m1/s1
Definition date:	2022-09-28
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol

IYI

IYI
Name:	[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:	C35 H42 F3 N4 O8 S
SMILES:	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](=O)(=O)C(F)(F)F)=[N+](C)C)c1
InChi:	InChI=1S/C35H41F3N4O8S/c1-41(2)24-9-12-27-30(21-24)50-31-22-25(42(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(44)45)33(43)39-15-17-49-19-18-48-16-7-5-6-14-40-51(46,47)35(36,37)38/h8-13,20-22,40H,5-7,14-19H2,1-4H3,(H-,39,43,44,45)/p+1
Definition date:	2022-04-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

IYL

IYL
Name:	[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:	C34 H42 N3 O7
SMILES:	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCO)=[N+](C)C)c1
InChi:	InChI=1S/C34H41N3O7/c1-36(2)24-9-12-27-30(21-24)44-31-22-25(37(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-14-17-43-19-18-42-16-7-5-6-15-38/h8-13,20-22,38H,5-7,14-19H2,1-4H3,(H-,35,39,40,41)/p+1
Definition date:	2022-04-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

IYO

IYO
Name:	[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:	C35 H45 N4 O8 S
SMILES:	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](C)(=O)=O)=[N+](C)C)c1
InChi:	InChI=1S/C35H44N4O8S/c1-38(2)25-10-13-28-31(22-25)47-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)36-16-18-46-20-19-45-17-8-6-7-15-37-48(5,43)44/h9-14,21-23,37H,6-8,15-20H2,1-5H3,(H-,36,40,41,42)/p+1
Definition date:	2022-04-20
Last modified:	2023-02-17
Release date:	2023-02-22
Identifier:	[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

<170 171 172 173 174 175 176177178 179 180 181 182 183 184 185 >

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon