Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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

STC

STC
Name:	3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
Formula:	C11 H8 Cl N O4 S2
SMILES:	O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
Definition date:	2002-03-04
Last modified:	2011-06-04
Identifier:	3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

Y13

Y13
Name:	(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
Formula:	C17 H17 N O4
SMILES:	O=C(NCCc1ccc(O)cc1)C=Cc2cc(O)c(O)cc2
InChi:	InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
Definition date:	2005-11-10
Last modified:	2011-06-04
Identifier:	(2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

NHV

NHV
Name:	(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
Formula:	C15 H20 N3 O4
SMILES:	OCC2[n+]1cc(nc1C(O)C(O)C2O)CNc3ccccc3
InChi:	InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/p+1/t11-,12-,13+,14+/m1/s1
Definition date:	2008-02-20
Last modified:	2011-06-04
Identifier:	(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium

U1P

U1P
Name:	6-[(E)-iminomethyl]uridine 5'-phosphate
Formula:	C10 H14 N3 O9 P
SMILES:	O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
Definition date:	2008-10-23
Last modified:	2011-06-04
Identifier:	6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate)

STF

STF
Name:	(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE
Formula:	C11 H8 F3 N O S2
SMILES:	O=C1N=C(S)SC1Cc2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/s1
Definition date:	2006-01-11
Last modified:	2011-06-04
Identifier:	(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one

X4A

X4A
Name:	[(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C5 H11 O8 P
SMILES:	O=P(OCC1(O)OC(O)CC1O)(O)O
InChi:	InChI=1S/C5H11O8P/c6-3-1-4(7)13-5(3,8)2-12-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4-,5+/m0/s1
Definition date:	2006-07-27
Last modified:	2011-06-04
Identifier:	[(2R,3S,5S)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

STG

STG
Name:	ESTRIOL 3-(B-D-GLUCURONIDE)
Formula:	C24 H32 O9
SMILES:	O=C(O)C5OC(Oc1ccc2c(c1)CCC3C4CC(O)C(O)C4(C)CCC23)C(O)C(O)C5O
InChi:	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(14beta,16alpha,17alpha)-16,17-dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

5QC

5QC
Name:	1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE
Formula:	C31 H27 F3 N6 O3
SMILES:	FC(F)(F)c7nn(c2cc1c(onc1N)cc2)c6C(=O)N(c5ccc(c3ccccc3CN4CCC(O)C4)cc5)CCc67
InChi:	InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
Definition date:	2006-04-06
Last modified:	2011-06-04
Identifier:	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

TNB

TNB
Name:	S-(2,3,6-TRINITROPHENYL)CYSTEINE
Formula:	C9 H8 N4 O8 S
SMILES:	[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O
InChi:	InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	S-(2,4,6-trinitrophenyl)-L-cysteine

STH

STH
Name:	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL
Formula:	C8 H9 N O2 S
SMILES:	O2c1ccccc1C(O)SC2N
InChi:	InChI=1S/C8H9NO2S/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4,7-8,10H,9H2/t7-,8+/m1/s1
Definition date:	2004-11-03
Last modified:	2011-06-04
Identifier:	(2S,4R)-2-amino-4H-1,3-benzoxathiin-4-ol

XK2

XK2
Name:	[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
Formula:	C41 H38 N2 O3
SMILES:	O=C1N(C(C(O)C(O)C(N1Cc3cc2ccccc2cc3)Cc4ccccc4)Cc5ccccc5)Cc7cc6ccccc6cc7
InChi:	InChI=1S/C41H38N2O3/c44-39-37(25-29-11-3-1-4-12-29)42(27-31-19-21-33-15-7-9-17-35(33)23-31)41(46)43(38(40(39)45)26-30-13-5-2-6-14-30)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2/t37-,38-,39+,40+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one

U1S

U1S
Name:	1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-L-arabinofuranosyl}pyrimidine-2,4(1H,3H)-dione
Formula:	C17 H25 N3 O7
SMILES:	O=C(OCC)C1CCN(CC1)CC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O
InChi:	InChI=1S/C17H25N3O7/c1-2-26-16(24)10-3-6-19(7-4-10)9-11-13(22)14(23)15(27-11)20-8-5-12(21)18-17(20)25/h5,8,10-11,13-15,22-23H,2-4,6-7,9H2,1H3,(H,18,21,25)/t11-,13-,14+,15+/m0/s1
Definition date:	2008-06-10
Last modified:	2011-06-04
Identifier:	1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-L-arabinofuranosyl}pyrimidine-2,4(1H,3H)-dione

TND

TND
Name:	N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
Formula:	C29 H32 N6 O6
SMILES:	O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NC5c4ccccc4CCC5)CO
InChi:	InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1
Definition date:	2001-02-21
Last modified:	2011-06-04
Identifier:	2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]adenosine

STJ

STJ
Name:	3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
Formula:	C18 H13 F3 N4 O2
SMILES:	FC(F)(F)Oc1ccc(cc1)Nc3ncnc(c2cc(C(=O)N)ccc2)c3
InChi:	InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
Definition date:	2009-10-09
Last modified:	2011-06-04
Identifier:	3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide

PZI

PZI
Name:	2-(2-oxopyrrolidin-1-yl)acetamide
Formula:	C6 H10 N2 O2
SMILES:	NC(=O)CN1CCCC1=O
InChi:	InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)
Definition date:	2010-02-17
Last modified:	2011-06-04
Identifier:	2-(2-oxopyrrolidin-1-yl)ethanamide

VAA

VAA
Name:	N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE
Formula:	C15 H24 N8 O6 S
SMILES:	O=C(NS(=O)(=O)NCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C
InChi:	InChI=1S/C15H24N8O6S/c1-6(2)8(16)14(26)22-30(27,28)21-3-7-10(24)11(25)15(29-7)23-5-20-9-12(17)18-4-19-13(9)23/h4-8,10-11,15,21,24-25H,3,16H2,1-2H3,(H,22,26)(H2,17,18,19)/t7-,8+,10-,11-,15-/m1/s1
Definition date:	2000-06-27
Last modified:	2011-06-04
Identifier:	5'-deoxy-5'-[(L-valylsulfamoyl)amino]adenosine

STL

STL
Name:	RESVERATROL
Formula:	C14 H12 O3
SMILES:	Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

OBZ

OBZ
Name:	O-benzylhydroxylamine
Formula:	C7 H9 N O
SMILES:	[(aminooxy)methyl]benzene
InChi:	InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Definition date:	2008-07-23
Last modified:	2011-06-04
Identifier:	O-benzylhydroxylamine

PZL

PZL
Name:	3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
Formula:	C19 H10 Br Cl F N5 O
SMILES:	N#Cc4cc(Oc1c(Br)ccc(c1F)Cc3nnc2nnccc23)cc(Cl)c4
InChi:	InChI=1S/C19H10BrClFN5O/c20-15-2-1-11(7-16-14-3-4-24-26-19(14)27-25-16)17(22)18(15)28-13-6-10(9-23)5-12(21)8-13/h1-6,8H,7H2,(H,25,26,27)
Definition date:	2008-07-29
Last modified:	2011-06-04
Identifier:	3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile

VAC

VAC
Name:	N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Formula:	C39 H42 N2 O5
SMILES:	O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CC(C(=O)NC5c4ccccc4CC5O)Cc6ccccc6
InChi:	InChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,34-,35-,36+,37+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide

STP

STP
Name:	2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)
Formula:	C10 H16 N5 O11 P3 S
SMILES:	O=P(O)(O)OP(=O)(O)OP(=S)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5?,6?,7?,29-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]pentofuranosyl}-9H-purin-6-amine

PZO

PZO
Name:	PYRAZOLE
Formula:	C3 H4 N2
SMILES:	n1cccn1
InChi:	InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Definition date:	2002-12-17
Last modified:	2011-06-04
Identifier:	1H-pyrazole

PL0

PL0
Name:	1-phenylguanidine
Formula:	C7 H9 N3
SMILES:	[N@H]=C(Nc1ccccc1)N
InChi:	InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
Definition date:	2007-06-26
Last modified:	2011-06-04
Identifier:	1-phenylguanidine

P66

P66
Name:	4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
Formula:	C21 H15 Cl F2 N6 O
SMILES:	O=C(NC1CC1)c2cc(c(Cl)cc2)Nc3nncc4c3cnn4c5c(F)cccc5F
InChi:	InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)
Definition date:	2009-09-01
Last modified:	2011-06-04
Identifier:	4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide

Y
Name:	2'-DEOXY-N6-(S)STYRENE OXIDE ADENOSINE MONOPHOSPHATE
Formula:	C18 H22 N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NC(c3ccccc3)CO)CC4O
InChi:	InChI=1S/C18H22N5O7P/c24-7-12(11-4-2-1-3-5-11)22-17-16-18(20-9-19-17)23(10-21-16)15-6-13(25)14(30-15)8-29-31(26,27)28/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,22)(H2,26,27,28)/t12-,13+,14-,15-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)

<1272 1273 1274 1275 1276 1277 127812791280 1281 1282 1283 1284 1285 1286 1287 >

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon