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: 35338 results BIRD

SHY

SHY
Name:	4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
Formula:	C24 H24 N4 O5
SMILES:	O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
Definition date:	2004-05-24
Last modified:	2011-06-04
Identifier:	4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

N6G

N6G
Name:	((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H15 N6 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)C(O)C3O
InChi:	InChI=1S/C10H15N6O7P/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
Definition date:	2005-10-24
Last modified:	2011-06-04
Identifier:	2-aminoadenosine 5'-(dihydrogen phosphate)

RBC

RBC
Name:	4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE
Formula:	C32 H32 Cl N O4
SMILES:	Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC5OCc4cc3ccccc3cc4)COC
InChi:	InChI=1S/C32H32ClNO4/c1-36-21-27-17-34-18-30(37-20-23-12-13-24-6-2-3-7-26(24)16-23)31(27)25-14-10-22(11-15-25)19-38-32(35)28-8-4-5-9-29(28)33/h2-16,27,30-31,34H,17-21H2,1H3/t27-,30-,31-/m0/s1
Definition date:	2003-06-25
Last modified:	2011-06-04
Identifier:	4-[(3S,4R,5R)-3-(methoxymethyl)-5-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate

RP4

RP4
Name:	(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
Formula:	C19 H18 O5 S
SMILES:	O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C(O)C3
InChi:	InChI=1S/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1
Definition date:	2006-03-31
Last modified:	2011-06-04
Identifier:	(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylsulfanyl)phenyl]cyclohex-2-ene-1-carboxylic acid

864

864
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Formula:	C22 H29 N2 O6 P
SMILES:	O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NC(=O)OCc2ccccc2)C(C)C
InChi:	InChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid

QHF

QHF
Name:	N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide
Formula:	C23 H34 F N5 O5 S
SMILES:	Fc1cnc(nc1)C(C)CC(N(O)C=O)(C)CS(=O)(=O)N3CCC(CCc2c(onc2C)C)CC3
InChi:	InChI=1S/C23H34FN5O5S/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1
Definition date:	2011-01-07
Last modified:	2011-06-04
Identifier:	N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide

866

866
Name:	5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
Formula:	C23 H21 Cl2 F4 N5 O3
SMILES:	Clc1cccc(Cl)c1C(=O)N(CC)CC(O)(C(F)(F)F)CNC(=O)c3cnn(c2ccc(F)cc2)c3N
InChi:	InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1
Definition date:	2008-08-19
Last modified:	2011-06-04
Identifier:	5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

RPA

RPA
Name:	RHODOPINAL GLUCOSIDE
Formula:	C46 H66 O7
SMILES:	O(C(CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(/C)C)C)C)CO)C)C)C)(C)C)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-25-38(6)27-16-30-40(32-47)29-11-10-19-35(3)21-13-23-37(5)24-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-16,18-27,29-30,41-45,47-51H,17,28,31-33H2,1-9H3/b11-10+,20-12?,21-13+,24-15+,25-14+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29-/t41-,42-,43+,44-,45+/m1/s1
Definition date:	2001-05-03
Last modified:	2011-06-04
Identifier:	(3E)-20-hydroxy-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside

86A

86A
Name:	(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID
Formula:	C22 H29 N4 O6 P
SMILES:	O=C(NC(C(C)C)P(=O)(O)OC(c1cc(NC(=[N@H])N)ccc1)C(=O)O)CCc2ccccc2
InChi:	InChI=1S/C22H29N4O6P/c1-14(2)20(26-18(27)12-11-15-7-4-3-5-8-15)33(30,31)32-19(21(28)29)16-9-6-10-17(13-16)25-22(23)24/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t19-,20+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-(3-carbamimidamidophenyl){[(S)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}ethanoic acid

SIB

SIB
Name:	(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID
Formula:	C14 H19 N5 O6 S
SMILES:	O=C(O)C(N)CCSCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
InChi:	InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	2007-04-26
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

RPF

RPF
Name:	1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE
Formula:	C31 H37 N3 O5
SMILES:	O=C5N(c2ccc(OCCCOCc1ccccc1OC)cc2)C(COc4ccc3c(NCCC3)c4)CNC5
InChi:	InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1
Definition date:	2005-02-18
Last modified:	2011-06-04
Identifier:	(6S)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydroquinolin-7-yloxy)methyl]piperazin-2-one

0NC

0NC
Name:	N-methyl-L-alaninamide
Formula:	C4 H10 N2 O
SMILES:	O=C(NC)C(N)C
InChi:	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1
Definition date:	2008-03-31
Last modified:	2011-06-04
Identifier:	N-methyl-L-alaninamide

SII

SII
Name:	N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
Formula:	C28 H34 F N5 O2
SMILES:	Fc5cccc(N2C(=O)N=C(NC1CCCCC1)C23CCN(CC3)Cc4ccc(NC(=O)C)cc4)c5
InChi:	InChI=1S/C28H34FN5O2/c1-20(35)30-24-12-10-21(11-13-24)19-33-16-14-28(15-17-33)26(31-23-7-3-2-4-8-23)32-27(36)34(28)25-9-5-6-22(29)18-25/h5-6,9-13,18,23H,2-4,7-8,14-17,19H2,1H3,(H,30,35)(H,31,32,36)
Definition date:	2008-08-15
Last modified:	2011-06-04
Identifier:	N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide

0NF

0NF
Name:	(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
Formula:	C29 H29 F3 N4 O3
SMILES:	FC(F)(F)c1cc(cc(c1)NC(=O)C5Cc4cc(Oc2ccnc3c2CCC(=O)N3)ccc4CC5)C(N)(C)C
InChi:	InChI=1S/C29H29F3N4O3/c1-28(2,33)19-13-20(29(30,31)32)15-21(14-19)35-27(38)17-4-3-16-5-6-22(12-18(16)11-17)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h5-6,9-10,12-15,17H,3-4,7-8,11,33H2,1-2H3,(H,35,38)(H,34,36,37)/t17-/m0/s1
Definition date:	2011-02-04
Last modified:	2011-06-04
Identifier:	(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

RPN

RPN
Name:	(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL
Formula:	C8 H8 N4 O3
SMILES:	[O-][N+](=O)c1ccc(cc1)C(O)C/N=[N+]=[N-]
InChi:	InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
Definition date:	2003-07-11
Last modified:	2011-06-04
Identifier:	(1R)-2-azido-1-(4-nitrophenyl)ethanol

RBY

RBY
Name:	METHYLENE ADP-BETA-XYLOSE
Formula:	C16 H25 N5 O13 P2
SMILES:	O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC4OC(O)C(O)C4O
InChi:	InChI=1S/C16H25N5O13P2/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(33-15)1-31-35(27,28)5-36(29,30)32-2-7-10(23)12(25)16(26)34-7/h3-4,6-7,9-12,15-16,22-26H,1-2,5H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9-,10+,11-,12-,15-,16-/m1/s1
Definition date:	2007-07-27
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (S,R)-phosphonate] (non-preferred name)

SIN

SIN
Name:	SUCCINIC ACID
Formula:	C4 H6 O4
SMILES:	O=C(O)CCC(=O)O
InChi:	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	butanedioic acid

RPP

RPP
Name:	2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Formula:	C10 H14 I N5 O4
SMILES:	IC2c1c(ncnc1N(N2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1
Definition date:	1999-12-01
Last modified:	2011-06-04
Identifier:	(3R)-3-iodo-1-beta-D-ribofuranosyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine

RBZ

RBZ
Name:	ALPHA-RIBAZOLE-5'-PHOSPHATE
Formula:	C14 H19 N2 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
InChi:	InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
Definition date:	2002-03-19
Last modified:	2011-06-04
Identifier:	5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

QI1

QI1
Name:	4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide
Formula:	C18 H20 Cl2 N2 O2
SMILES:	Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO
InChi:	InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23)
Definition date:	2011-02-03
Last modified:	2011-06-04
Identifier:	4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide

QI3

QI3
Name:	(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide
Formula:	C17 H16 Cl2 N2 O5 S
SMILES:	O=S(=O)(c1ccc(Cl)cc1)N3C(C(=O)NO)CC(Oc2ccc(Cl)cc2)C3
InChi:	InChI=1S/C17H16Cl2N2O5S/c18-11-1-5-13(6-2-11)26-14-9-16(17(22)20-23)21(10-14)27(24,25)15-7-3-12(19)4-8-15/h1-8,14,16,23H,9-10H2,(H,20,22)/t14-,16+/m1/s1
Definition date:	2011-02-03
Last modified:	2011-06-04
Identifier:	(4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide

870

870
Name:	N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Formula:	C20 H15 Cl2 N3 O4 S
SMILES:	Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(OC)cc(c3o2)c4cccc(N)c4
InChi:	InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)
Definition date:	2006-01-25
Last modified:	2011-06-04
Identifier:	N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide

872

872
Name:	(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE
Formula:	C17 H19 F6 N3 O2
SMILES:	O=C(N1C(C(=O)NCCC1)CC(F)(F)F)CC(N)Cc2cc(F)c(F)cc2F
InChi:	InChI=1S/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14?/m1/s1
Definition date:	2006-10-02
Last modified:	2011-06-04
Identifier:	(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one

SJ1

SJ1
Name:	N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE
Formula:	C17 H32 N6 O6
SMILES:	O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO
InChi:	InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1
Definition date:	2004-06-15
Last modified:	2011-06-04
Identifier:	N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide

KRP

KRP
Name:	3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
Formula:	C19 H21 N3 O3
SMILES:	CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:	InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)
Definition date:	2010-01-15
Last modified:	2011-06-04
Identifier:	3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile

<1300 1301 1302 1303 1304 1305 130613071308 1309 1310 1311 1312 1313 1314 1315 >

223532

數據於2024-08-07公開中

PDB statistics

PDBj update info

Contact PDBj

numon