Chemie Search results for query - Protein Data Bank Japan

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: 40235 results BIRD

7IR

7IR
Name:	(1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione
Formula:	C36 H39 N7 O6
SMILES:	CN1CCOCCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2
InChi:	InChI=1S/C36H39N7O6/c1-22-12-24(13-26-21-39-42-31(22)26)15-29-34(45)43(2)5-7-48-9-11-49-10-8-47-6-3-4-23-14-28-32(38-19-23)41-35(46)36(28)17-25-16-27(33(44)40-29)20-37-30(25)18-36/h3-4,12-14,16,19-21,29H,5-11,15,17-18H2,1-2H3,(H,39,42)(H,40,44)(H,38,41,46)/b4-3+/t29-,36+/m1/s1
Definition date:	2021-08-09
Last modified:	2022-06-10
Release date:	2022-06-15

7IU

7IU
Name:	(1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione
Formula:	C34 H33 N5 O6
SMILES:	CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6coc7ccccc67)C1=O)c3c2
InChi:	InChI=1S/C34H33N5O6/c1-39-8-10-44-12-11-43-9-4-5-21-13-26-30(36-18-21)38-33(42)34(26)16-22-14-23(19-35-28(22)17-34)31(40)37-27(32(39)41)15-24-20-45-29-7-3-2-6-25(24)29/h2-7,13-14,18-20,27H,8-12,15-17H2,1H3,(H,37,40)(H,36,38,42)/b5-4+/t27-,34+/m1/s1
Definition date:	2021-08-09
Last modified:	2022-06-10
Release date:	2022-06-15

7S3

7S3
Name:	[(2R,3S,4R,5R)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H15 N4 O8 P
SMILES:	CN1C=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Synonyms:	1-methyl inosinic acid
Definition date:	2021-10-15
Last modified:	2022-06-08
Release date:	2022-05-04
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

5FD

5FD
Name:	5'-FLUORO-5'-DEOXYADENOSINE
Formula:	C10 H12 F N5 O3
SMILES:	Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O
InChi:	InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
Definition date:	2003-12-16
Last modified:	2022-06-06
Identifier:	5'-deoxy-5'-fluoroadenosine

OUO

OUO
Name:	(2R)-2-(hydroxymethyl)pentanedioic acid
Formula:	C6 H10 O5
SMILES:	OC(=O)C(CCC(O)=O)CO
InChi:	InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1
Definition date:	2022-05-16
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	(2R)-2-(hydroxymethyl)pentanedioic acid

N8R

N8R
Name:	Dyclonine
Formula:	C18 H27 N O2
SMILES:	CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
InChi:	InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
Synonyms:	1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
Definition date:	2022-03-25
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one

QY2

QY2
Name:	2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one
Formula:	C14 H13 N3 O2 S
SMILES:	CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2
InChi:	InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18)
Definition date:	2020-08-20
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one

SJH

SJH
Name:	(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate
Formula:	C56 H93 N5 O22
SMILES:	CON=C1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCn3c(C)ncc3[N+]([O-])=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O
InChi:	InChI=1S/C56H93N5O22/c1-26(2)20-39(62)79-45-31(7)44(28(4)25-75-53-48(73-16)47(72-15)41(63)34(10)78-53)81-51(67)33(9)46(80-40-23-55(13,69)50(66)35(11)77-40)30(6)43(82-52-42(64)37(59-74-17)21-29(5)76-52)27(3)22-56(14,49(65)32(45)8)83-54(68)57-18-19-60-36(12)58-24-38(60)61(70)71/h24,26-35,40-48,50,52-53,63-64,66,69H,18-23,25H2,1-17H3,(H,57,68)/b59-37+/t27-,28-,29+,30+,31-,32+,33+,34+,35-,40-,41+,42+,43-,44+,45+,46-,47+,48+,50-,52-,53+,55+,56-/m0/s1
Synonyms:	[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate
Definition date:	2020-11-17
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	[(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate

TGI

TGI
Name:	Tiagabine
Formula:	C20 H25 N O2 S2
SMILES:	Cc1ccsc1C(=CCCN1CCCC(C1)C(=O)O)c1sccc1C
InChi:	InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
Synonyms:	(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
Definition date:	2021-10-20
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid

MJN

MJN
Name:	N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
Formula:	C33 H35 N5 O4
SMILES:	O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1
InChi:	InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1
Definition date:	2022-03-16
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide

SOK

SOK
Name:	3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one
Formula:	C16 H15 Cl N2 O
SMILES:	Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl
InChi:	InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3
Definition date:	2020-11-25
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one

O7T

O7T
Name:	deltarasin
Formula:	C40 H37 N5 O
SMILES:	C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8
InChi:	InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
Synonyms:	2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole
Definition date:	2020-02-18
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole

KZD

KZD
Name:	(2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid
Formula:	C36 H44 F N3 O4
SMILES:	O=C(O)C(OC(C)(C)C)c1c(c(c2nc(C)cn2c1C)c1ccc(OCCc2ccc(F)cc2)cc1)N1CCC(C)(C)CC1
InChi:	InChI=1S/C36H44FN3O4/c1-23-22-40-24(2)29(32(34(41)42)44-35(3,4)5)31(39-19-17-36(6,7)18-20-39)30(33(40)38-23)26-10-14-28(15-11-26)43-21-16-25-8-12-27(37)13-9-25/h8-15,22,32H,16-21H2,1-7H3,(H,41,42)/t32-/m0/s1
Definition date:	2022-02-25
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	(2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid

O7W

O7W
Name:	~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide
Formula:	C25 H28 N4 O2
SMILES:	CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1
InChi:	InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3
Definition date:	2020-02-18
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide

M7I

M7I
Name:	5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione
Formula:	C13 H11 F3 N2 O2
SMILES:	O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O
InChi:	InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
Definition date:	2022-03-14
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione

M89

M89
Name:	(3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile
Formula:	C13 H9 N3 O3 S
SMILES:	O=C1NC=C(NC1=O)C1COc2cc(ccc2S1)C#N
InChi:	InChI=1S/C13H9N3O3S/c14-4-7-1-2-10-9(3-7)19-6-11(20-10)8-5-15-12(17)13(18)16-8/h1-3,5,11H,6H2,(H,15,17)(H,16,18)/t11-/m0/s1
Definition date:	2022-03-14
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	(3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile

EJ3

EJ3
Name:	3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H19 F N4 O5
SMILES:	COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O
InChi:	InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32)
Definition date:	2022-04-20
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid

0VL

0VL
Name:	benzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate
Formula:	C23 H25 N5 O5
SMILES:	OC1=C(N=C(NC1=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCCc1ccncc1
InChi:	InChI=1S/C23H25N5O5/c1-23(2,28-22(32)33-14-16-6-4-3-5-7-16)21-26-17(18(29)20(31)27-21)19(30)25-13-10-15-8-11-24-12-9-15/h3-9,11-12,29H,10,13-14H2,1-2H3,(H,25,30)(H,28,32)(H,26,27,31)
Definition date:	2021-06-17
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	benzyl [2-(5-hydroxy-6-oxo-4-{[2-(pyridin-4-yl)ethyl]carbamoyl}-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

09Y

09Y
Name:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Formula:	C20 H20 N4 O4
SMILES:	OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1
InChi:	InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27)
Definition date:	2021-06-07
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide

0AW

0AW
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
Formula:	C21 H19 N3 O2 S
SMILES:	NC(=N)c1sc(CNC(=O)c2ccc3OCCc3c2)c(c1)c4ccccc4
InChi:	InChI=1S/C21H19N3O2S/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-24-21(25)15-6-7-17-14(10-15)8-9-26-17/h1-7,10-11H,8-9,12H2,(H3,22,23)(H,24,25)
Definition date:	2021-06-03
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

65M

65M
Name:	3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C15 H17 N3 O3 S
SMILES:	O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1
InChi:	InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21)
Definition date:	2021-08-02
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide

66I

66I
Name:	{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)
Formula:	C20 H23 F2 N7 O9 S
SMILES:	Oc1ccc(cc1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(OC(F)F)c3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C20H23F2N7O9S/c21-20(22)38-18-12-15(24)25-7-26-16(12)29(27-18)19-14(32)13(31)11(37-19)6-36-39(34,35)28-17(33)10(23)5-8-1-3-9(30)4-2-8/h1-4,7,10-11,13-14,19-20,30-32H,5-6,23H2,(H,28,33)(H2,24,25,26)/t10-,11+,13+,14+,19+/m0/s1
Definition date:	2021-08-02
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	{(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name)

69X

69X
Name:	5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C19 H23 N6 O9 P
SMILES:	Oc1ccc(cc1)CC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1
Definition date:	2021-08-02
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine

4J1

4J1
Name:	(2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C22 H33 N5 O8
SMILES:	OC[CH]1O[CH](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C22H33N5O8/c28-13-18-19(30)20(31)21(32)22(35-18)34-10-4-2-6-15-12-27(26-25-15)9-3-1-5-14-7-8-17(29)16(24-14)11-23-33/h7-8,11-12,18-22,28-33H,1-6,9-10,13H2/b23-11-/t18-,19-,20+,21-,22-/m1/s1
Definition date:	2021-07-02
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[4-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

7IT

7IT
Name:	N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
Formula:	C25 H32 Cl F N6 O4
SMILES:	Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC
InChi:	InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16+,19-,22-/m0/s1
Definition date:	2021-08-12
Last modified:	2022-06-03
Release date:	2022-06-08
Identifier:	N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide

<432 433 434 435 436 437 438439440 441 442 443 444 445 446 447 >

226262

PDB entries from 2024-10-16

PDB statistics

PDBj update info

Contact PDBj

numon