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CB8

CB8
Name:	(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
Formula:	C21 H20 O6 S2
SMILES:	O[CH]1C[C](O)(C(O)=O)C(=C(OCc2sc3ccccc3c2)[CH]1O)Cc4sccc4
InChi:	InChI=1S/C21H20O6S2/c22-16-10-21(26,20(24)25)15(9-13-5-3-7-28-13)19(18(16)23)27-11-14-8-12-4-1-2-6-17(12)29-14/h1-8,16,18,22-23,26H,9-11H2,(H,24,25)/t16-,18+,21-/m1/s1
Definition date:	2011-01-28
Last modified:	2011-08-12
Identifier:	(1R,4S,5R)-3-(1-benzothiophen-2-ylmethoxy)-1,4,5-trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-ene-1-carboxylic acid

FMV

FMV
Name:	(1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
Formula:	C28 H40 O4
SMILES:	OC(c1oc(cc1)C(C3CCC4C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)C)(C)C
InChi:	InChI=1S/C28H40O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,12-13,18,21-24,29-31H,1,6-7,10-11,14-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,28+/m0/s1
Definition date:	2010-08-24
Last modified:	2011-08-12
Identifier:	(1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(2-hydroxypropan-2-yl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol

589

589
Name:	5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:	C28 H31 N5 O2
SMILES:	O=C5N(N=C(c2ccnc(NC1CCCCC1)c2)N5c4cc3ccccc3cc4)C6CCOCC6
InChi:	InChI=1S/C28H31N5O2/c34-28-32(25-11-10-20-6-4-5-7-21(20)18-25)27(31-33(28)24-13-16-35-17-14-24)22-12-15-29-26(19-22)30-23-8-2-1-3-9-23/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17H2,(H,29,30)
Definition date:	2010-09-27
Last modified:	2011-08-12
Identifier:	5-[2-(cyclohexylamino)pyridin-4-yl]-4-(naphthalen-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

MV1

MV1
Name:	(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide
Formula:	C18 H36 N2 O4
SMILES:	O=C(NCCC(=O)NCCCCCCCCC)C(O)C(C)(C)CO
InChi:	InChI=1S/C18H36N2O4/c1-4-5-6-7-8-9-10-12-19-15(22)11-13-20-17(24)16(23)18(2,3)14-21/h16,21,23H,4-14H2,1-3H3,(H,19,22)(H,20,24)/t16-/m1/s1
Definition date:	2011-03-15
Last modified:	2011-08-12
Identifier:	(2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide

NJQ

NJQ
Name:	3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
Formula:	C27 H28 N2 O3
SMILES:	O=C(O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3nc(ccc3)CC4CCCCC4
InChi:	InChI=1S/C27H28N2O3/c30-26(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(27(31)32)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,30)(H,31,32)
Definition date:	2010-06-22
Last modified:	2011-08-12
Identifier:	3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid

D8U

D8U
Name:	deuterium(1+)
Formula:	D
SMILES:	[2H+]
InChi:	InChI=1S/p+1/i/hD
Definition date:	2011-04-14
Last modified:	2011-08-12
Identifier:	deuterium(1+)

P2B

P2B
Name:	3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
Formula:	C19 H19 N5 O2
SMILES:	n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4cccc(O)c4
InChi:	InChI=1S/C19H19N5O2/c25-16-5-1-3-14(11-16)17-12-18(21-15-4-2-6-20-13-15)23-19(22-17)24-7-9-26-10-8-24/h1-6,11-13,25H,7-10H2,(H,21,22,23)
Definition date:	2010-10-05
Last modified:	2011-08-12
Identifier:	3-[2-(morpholin-4-yl)-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol

VAF

VAF
Name:	METHYLVALINE
Formula:	C6 H13 N O
SMILES:	O=C(C)C(N)C(C)C
InChi:	InChI=1S/C6H13NO/c1-4(2)6(7)5(3)8/h4,6H,7H2,1-3H3/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	(3S)-3-amino-4-methylpentan-2-one

2EP

2EP
Name:	2-ETHYLPIPERIDINE
Formula:	C7 H15 N
SMILES:	N1C(CC)CCCC1
InChi:	InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	(2S)-2-ethylpiperidine

SOH

SOH
Name:	HYDROGEN SULFATE
Formula:	H O4 S
SMILES:	[O-]S(=O)(=O)O
InChi:	InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
Synonyms:	HYDROSULFATE ION
Definition date:	2004-02-27
Last modified:	2011-08-06
Identifier:	hydrogen sulfate

SPY

SPY
Name:	pyridine-4-sulfonic acid
Formula:	C5 H5 N O3 S
SMILES:	O=S(=O)(O)c1ccncc1
InChi:	InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9)
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	pyridine-4-sulfonic acid

BOP

BOP
Name:	1-BROMO-4-METHOXYBENZENE
Formula:	C7 H7 Br O
SMILES:	4-bromophenyl methyl ether
InChi:	InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
Definition date:	2003-11-24
Last modified:	2011-08-06
Identifier:	1-bromo-4-methoxybenzene

GLM

GLM
Name:	1-AMINO-PROPAN-2-ONE
Formula:	C3 H7 N O
SMILES:	O=C(C)CN
InChi:	InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	1-aminopropan-2-one

BAC

BAC
Name:	N-(4-IODO-BENZYL)-FORMAMIDE
Formula:	C8 H8 I N O
SMILES:	Ic1ccc(cc1)CNC=O
InChi:	InChI=1S/C8H8INO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	N-(4-iodobenzyl)formamide

CRW

CRW
Name:	[2-(1-AMINOETHYL)-4-METHYLENE-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C8 H11 N3 O3
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C)=C
InChi:	InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1
Synonyms:	CHROMOPHORE (ALA-SER-GLY)
Definition date:	2005-02-03
Last modified:	2011-08-06
Identifier:	{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

EKE

EKE
Name:	(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID
Formula:	C6 H13 N O3
SMILES:	O=C(O)CCC(N)C(O)C
InChi:	InChI=1S/C6H13NO3/c1-4(8)5(7)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
Synonyms:	EPISULFIDE METHYLGLUTAMATE
Definition date:	2006-06-14
Last modified:	2011-08-06
Identifier:	(4S,5R)-4-amino-5-hydroxyhexanoic acid

KTH

KTH
Name:	2-KETOTHIAZOLE
Formula:	C4 H3 N O S
SMILES:	O=Cc1nccs1
InChi:	InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	1,3-thiazole-2-carbaldehyde

CFS

CFS
Name:	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-3-HYDROXY-PENTANOIC ACID
Formula:	C11 H19 F2 N O3
SMILES:	O=C(O)C(F)(F)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C11H19F2NO3/c12-11(13,10(16)17)9(15)8(14)6-7-4-2-1-3-5-7/h7-9,15H,1-6,14H2,(H,16,17)/t8-,9+/m0/s1
Definition date:	2000-09-12
Last modified:	2011-08-06
Identifier:	4-amino-5-cyclohexyl-2,4,5-trideoxy-2,2-difluoro-L-threo-pentonic acid

MT7

MT7
Name:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	C42 H72 O36
SMILES:	OC7C(O)C(O)C(OC7OC1C(O)C(O)C(OC1CO)OC2C(O)C(O)C(OC2CO)OC6C(OC(OC5C(OC(OC4C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC4CO)C(O)C5O)CO)C(O)C6O)CO)CO
InChi:	InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
Definition date:	2008-03-27
Last modified:	2011-08-06
Identifier:	alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose

LEM

LEM
Name:	(3S)-3-amino-5-methylhexan-2-one
Formula:	C7 H15 N O
SMILES:	O=C(C)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
Synonyms:	Deoxy-methyl-leucine
Definition date:	2008-04-07
Last modified:	2011-08-06
Identifier:	(3S)-3-amino-5-methylhexan-2-one

NAM

NAM
Name:	NAM NAPTHYLAMINOALANINE
Formula:	C13 H14 N2 O
SMILES:	O=C(N)C(N)Cc2cccc1ccccc12
InChi:	InChI=1S/C13H14N2O/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H2,15,16)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	(2S)-2-amino-3-naphthalen-1-ylpropanamide (non-preferred name)

ACL

ACL
Name:	DEOXY-CHLOROMETHYL-ARGININE
Formula:	C7 H15 Cl N4 O
SMILES:	ClCC(=O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)/t5-/m0/s1
Definition date:	1999-08-31
Last modified:	2011-08-06
Identifier:	1-[(4S)-4-amino-6-chloro-5-oxohexyl]guanidine

AKL

AKL
Name:	3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID
Formula:	C5 H8 Cl N O3
SMILES:	O=C(CCl)C(N)CC(=O)O
InChi:	InChI=1S/C5H8ClNO3/c6-2-4(8)3(7)1-5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1
Synonyms:	ASPARTIC ACID CHLOROMETHYL KETONE
Definition date:	2006-04-19
Last modified:	2011-08-06
Identifier:	(3S)-3-amino-5-chloro-4-oxopentanoic acid

ALM

ALM
Name:	1-METHYL-ALANINAL
Formula:	C4 H9 N O
SMILES:	O=C(C)C(N)C
InChi:	InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/t3-/m0/s1
Synonyms:	3-AMINO-BUTAN-2-ONE
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	(3S)-3-aminobutan-2-one

LOL

LOL
Name:	(2S)-2-amino-4-methylpentane-1,1-diol
Formula:	C6 H15 N O2
SMILES:	OC(O)C(N)CC(C)C
InChi:	InChI=1S/C6H15NO2/c1-4(2)3-5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-08-06
Identifier:	(2S)-2-amino-4-methylpentane-1,1-diol

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