Chemie Search results for query - 日本蛋白质结构数据库

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: 44295 results BIRD

55C

55C
Name:	2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid
Formula:	C21 H17 N O3
SMILES:	c31ccccc1cc(C(=CC(Nc2ccccc2C(O)=O)=O)C)cc3
InChi:	InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
Synonyms:	BIBR 1532
Definition date:	2015-07-27
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid

55Q

55Q
Name:	(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid
Formula:	C38 H57 N5 O7 S
SMILES:	N1(CCCCC1C(=O)NC(C(N(C(C(C)C)CC(OC(C)=O)c3nc(C(=O)NC(CC(C(=O)O)C)Cc2ccccc2)cs3)C)=O)C(CC)C)C
InChi:	InChI=1S/C38H57N5O7S/c1-9-24(4)33(41-35(46)30-17-13-14-18-42(30)7)37(47)43(8)31(23(2)3)21-32(50-26(6)44)36-40-29(22-51-36)34(45)39-28(19-25(5)38(48)49)20-27-15-11-10-12-16-27/h10-12,15-16,22-25,28,30-33H,9,13-14,17-21H2,1-8H3,(H,39,45)(H,41,46)(H,48,49)/t24-,25-,28-,30+,31-,32-,33-/m1/s1
Synonyms:	Tubulysin M
Definition date:	2015-07-30
Last modified:	2021-03-01
Release date:	2016-07-27
Identifier:	(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid

564

564
Name:	6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID
Formula:	C26 H26 O3
SMILES:	O=C(O)c2ccc1cc(ccc1c2)C(=O)c3ccc4c(c3)C(CCC4(C)C)(C)C
InChi:	InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
Synonyms:	CD564
Definition date:	2000-08-08
Last modified:	2021-03-01
Identifier:	6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid

CCA

CCA
Name:	2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER
Formula:	C17 H22 N O4
SMILES:	O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2
InChi:	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1
Synonyms:	COCAINE
Definition date:	2001-04-12
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane

CCX

CCX
Name:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide
Formula:	C28 H28 N6 O
SMILES:	N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5
InChi:	InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35)
Synonyms:	3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide
Definition date:	2010-03-04
Last modified:	2021-03-01
Identifier:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide

CD4

CD4
Name:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
Formula:	C65 H126 O17 P2
SMILES:	O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChi:	InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1
Synonyms:	tetramyristoyl-cardiolipin
Definition date:	2009-02-11
Last modified:	2021-03-01
Identifier:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name)

58O

58O
Name:	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C24 H23 F3 N6 O S
SMILES:	c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5c(c4)cc(C#N)n5)OC
InChi:	InChI=1S/C24H23F3N6OS/c1-34-21-9-20-14(7-17(11-28)31-20)6-15(21)12-33-4-2-16(3-5-33)32-22-19-8-18(10-24(25,26)27)35-23(19)30-13-29-22/h6-9,13,16,31H,2-5,10,12H2,1H3,(H,29,30,32)
Synonyms:	MI-336
Definition date:	2015-08-21
Last modified:	2021-03-01
Release date:	2016-03-30
Identifier:	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

CDT

CDT
Name:	4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3 S
SMILES:	O=C(NC(C(=O)O)CCSC)N
InChi:	InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-METHIONINE
Definition date:	2003-05-28
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-methionine

591

591
Name:	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C19 H19 N7 O
SMILES:	O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C
InChi:	InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1
Synonyms:	WAY-256591
Definition date:	2011-06-03
Last modified:	2021-03-01
Identifier:	(5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one

CDV

CDV
Name:	3-METHYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C(C)C
InChi:	InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-VALINE
Definition date:	2003-05-29
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-valine

CEI

CEI
Name:	N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Formula:	C25 H21 N3 O3
SMILES:	O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4
InChi:	InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
Synonyms:	COELENTERAMIDE
Definition date:	2004-01-26
Last modified:	2021-03-01
Identifier:	N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

CEN

CEN
Name:	7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID
Formula:	C15 H18 N2 O8 S
SMILES:	O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O
InChi:	InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1
Synonyms:	GLUTARYL 7-AMINO CEPHALOSPORANIC ACID
Definition date:	2001-01-19
Last modified:	2021-03-01
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

5A0

5A0
Name:	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
Formula:	C17 H21 F2 N5 S2
SMILES:	c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C
InChi:	InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3
Synonyms:	MI-859
Definition date:	2015-08-28
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

5A1

5A1
Name:	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
Formula:	C17 H18 F5 N5 S2
SMILES:	c14c(c(ncn1)N2CCN(CC2)C=3SC(C)(C)CN=3)cc(C(C(F)(F)F)(F)F)s4
InChi:	InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3
Synonyms:	MI-273
Definition date:	2015-08-28
Last modified:	2021-03-01
Release date:	2015-09-09
Identifier:	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine

5AA

5AA
Name:	N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C12 H19 N6 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N
InChi:	InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
Synonyms:	PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
Definition date:	2004-12-29
Last modified:	2021-03-01
Identifier:	3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)

5AE

5AE
Name:	4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
Formula:	C8 H12 N4 O5
SMILES:	O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Synonyms:	5-azacytidine
Definition date:	2014-05-19
Last modified:	2021-03-01
Release date:	2014-06-25
Identifier:	4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one

5AL

5AL
Name:	5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C13 H19 N6 O8 P
SMILES:	O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Synonyms:	Alanyl Adenylate
Definition date:	2009-06-25
Last modified:	2021-03-01
Identifier:	5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine

CFB

CFB
Name:	2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Formula:	C10 H11 Cl F N5 O3
SMILES:	Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
InChi:	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
Synonyms:	CLOFARABINE
Definition date:	2005-07-14
Last modified:	2021-03-01
Identifier:	2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine

CFE

CFE
Name:	(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Formula:	C11 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
InChi:	InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
Synonyms:	Coformycin
Definition date:	2010-01-26
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

5AZ

5AZ
Name:	6-amino-1,3,5-triazin-2(1H)-one
Formula:	C3 H4 N4 O
SMILES:	NC1=NC=NC(=O)N1
InChi:	InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
Synonyms:	5-Azacytosine
Definition date:	2010-01-08
Last modified:	2021-03-01
Identifier:	6-azanyl-1H-1,3,5-triazin-2-one

5BQ

5BQ
Name:	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
Formula:	C14 H13 Cl O5 S
SMILES:	O=C1C(C(CCC1)=O)C(=O)c2ccc(cc2Cl)S(=O)(C)=O
InChi:	InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Synonyms:	Sulcotrione
Definition date:	2015-09-03
Last modified:	2021-03-01
Release date:	2016-09-07
Identifier:	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione

7PD

7PD
Name:	2-aminopteridine-4,7(3H,8H)-dione
Formula:	C6 H5 N5 O2
SMILES:	C2=NC=1C(=O)NC(=NC=1NC2=O)N
InChi:	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
Synonyms:	isoxanthopterin
Definition date:	2016-11-28
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	2-aminopteridine-4,7(3H,8H)-dione

7PE

7PE
Name:	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Formula:	C14 H30 O7
SMILES:	O(CCOCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3
Synonyms:	POLYETHYLENE GLYCOL FRAGMENT
Definition date:	2005-12-28
Last modified:	2021-03-01
Identifier:	3,6,9,12,15,18-hexaoxaicosan-1-ol

7PH

7PH
Name:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Formula:	C29 H57 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
InChi:	InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate

5DK

5DK
Name:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine
Formula:	C14 H22 N5 O7 P
SMILES:	c1(C)ncc(c(c1O)/C=N/C(CCCN/C(N)=N)C(O)=O)COP(O)(O)=O
InChi:	InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m1/s1
Synonyms:	PLP-DArg
Definition date:	2015-09-09
Last modified:	2021-03-01
Release date:	2015-11-25
Identifier:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine

<670 671 672 673 674 675 676677678 679 680 681 682 683 684 685 >

244693

数据于2025-11-12公开中

PDB statistics

PDBj update info

Contact PDBj

numon