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: 44357 results BIRD

Q7Z

Q7Z
Name:	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C23 H30 N6 O4
SMILES:	COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
InChi:	InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8B

Q8B
Name:	N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
Formula:	C27 H35 N7 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
InChi:	InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8K

Q8K
Name:	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C22 H24 N6 O2
SMILES:	OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
InChi:	InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8Q

Q8Q
Name:	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C18 H20 N6 O
SMILES:	CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
InChi:	InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8T

Q8T
Name:	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H34 N8 O2
SMILES:	CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45
InChi:	InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8W

Q8W
Name:	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Formula:	C22 H26 N6 O2
SMILES:	C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1
InChi:	InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q98

Q98
Name:	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C17 H17 N5 O2
SMILES:	O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

Q9B

Q9B
Name:	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C18 H19 N5 O
SMILES:	O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

QNJ

QNJ
Name:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
Formula:	C27 H48 O
SMILES:	C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C)C(CC4)C(CCCC(C)C)C)C
InChi:	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol

QNP

QNP
Name:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
Formula:	C26 H51 O8 P
SMILES:	CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O
InChi:	InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate

CMP

CMP
Name:	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Formula:	C10 H12 N5 O6 P
SMILES:	O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
InChi:	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Synonyms:	CYCLIC AMP
Definition date:	1999-07-08
Last modified:	2020-05-28
Identifier:	(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

DJN

DJN
Name:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
Formula:	C8 H16 N2 O4
SMILES:	O=C(NC1C(O)C(O)C(NC1)CO)C
InChi:	InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1
Synonyms:	2-acetamido-1,2-dideoxy-D-galacto-nojirimycin
Definition date:	2012-02-14
Last modified:	2020-05-27
Release date:	2012-10-05
Identifier:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

DK1

DK1
Name:	5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID
Formula:	C10 H5 Cl2 N O3
SMILES:	Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O
InChi:	InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
Synonyms:	DCKA
Definition date:	2003-06-03
Last modified:	2020-05-27
Identifier:	5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid

S6P

S6P
Name:	D-SORBITOL-6-PHOSPHATE
Formula:	C6 H15 O9 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
InChi:	InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
Synonyms:	1-O-PHOSPHONO-D-GLUCITOL
Definition date:	2004-10-28
Last modified:	2020-05-27
Identifier:	6-O-phosphono-D-glucitol

SNL

SNL
Name:	SPIRONOLACTONE
Formula:	C24 H32 O4 S
SMILES:	O=C5OC4(C3(C(C2C(SC(=O)C)CC1=CC(=O)CCC1(C)C2CC3)CC4)C)CC5
InChi:	InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
Synonyms:	17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID
Definition date:	2005-07-18
Last modified:	2020-05-27
Identifier:	S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate

SCM

SCM
Name:	SPECTINOMYCIN
Formula:	C14 H24 N2 O7
SMILES:	O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O
InChi:	InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Synonyms:	ACTINOSPECTACIN
Definition date:	2000-08-25
Last modified:	2020-05-27
Identifier:	(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one

DR6

DR6
Name:	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
Formula:	C74 H142 O31
SMILES:	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
InChi:	InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3
Synonyms:	OCTYLPHENOXYPOLYETHOXYETHANOL
Definition date:	2005-03-16
Last modified:	2020-05-27
Identifier:	89-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol

R6C

R6C
Name:	(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL
Formula:	C19 H25 N5 O2
SMILES:	n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)OCc3ccccc3
InChi:	InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
Synonyms:	O6-(R)-ROSCOVITINE
Definition date:	2005-01-07
Last modified:	2020-05-27
Identifier:	(2R)-2-{[6-(benzyloxy)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol

SSE

SSE
Name:	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT
Formula:	C9 H18 O9 S Se
SMILES:	[O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1
InChi:	InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6-,7-,8-,9+,20-/m1/s1
Synonyms:	SELENO-SALACINOL
Definition date:	2004-06-22
Last modified:	2020-05-27
Identifier:	({[(1R,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name)

DRM

DRM
Name:	{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID
Formula:	C10 H15 N2 O6 P
SMILES:	O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O
InChi:	InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1
Synonyms:	1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL
Definition date:	2003-09-17
Last modified:	2020-05-27
Identifier:	({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic acid

SU3

SU3
Name:	(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
Formula:	C38 H55 N5 O9 S
SMILES:	O=S(=O)(NC(=O)C5(NC(=O)C2N3C(=O)C(NC(=O)OCC(C)(C)CCCCc1cccc4c1CN(C(=O)OC(C2)C3)C4)C(C)(C)C)CC5CC)C6CC6
InChi:	InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
Synonyms:	vaniprevir
Definition date:	2011-08-04
Last modified:	2020-05-27
Release date:	2012-08-31
Identifier:	(5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide

RMC

RMC
Name:	(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL
Formula:	C20 H28 N6 O
SMILES:	n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)N(Cc3ccccc3)C
InChi:	InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
Synonyms:	N6-METHYL-(R)-ROSCOVITINE
Definition date:	2005-01-06
Last modified:	2020-05-27
Identifier:	(2R)-2-({6-[benzyl(methyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)butan-1-ol

HG9

HG9
Name:	1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL
Formula:	C17 H35 N O7
SMILES:	O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CCCCCCCC
InChi:	InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14+,16-,17+/m1/s1
Synonyms:	HG9A-9
Definition date:	2004-03-23
Last modified:	2020-05-27
Identifier:	6-deoxy-6-[(2-hydroxyethyl)(nonanoyl)amino]-D-allitol

779

779
Name:	1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea
Formula:	C26 H39 N5 O2
SMILES:	O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C
InChi:	InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1
Definition date:	2014-09-08
Last modified:	2020-05-27
Release date:	2014-11-05
Identifier:	1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea

HKS

HKS
Name:	3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine
Formula:	C12 H16 N2 O6 S
SMILES:	C(O)(C(N)Cc1cc(SCC(N)C(O)=O)c(c(c1)O)O)=O
InChi:	InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m0/s1
Synonyms:	5-cysteinyl-3,4-dihydroxyphenylalanine
Definition date:	2018-07-10
Last modified:	2020-05-27
Release date:	2019-05-22
Identifier:	3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine

<903 904 905 906 907 908 909910911 912 913 914 915 916 917 918 >

246031

數據於2025-12-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon