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0CG

0CG
Name:	prop-2-yn-1-yl trihydrogen diphosphate
Formula:	C3 H6 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC#C)O
InChi:	InChI=1S/C3H6O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h1H,3H2,(H,7,8)(H2,4,5,6)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	prop-2-yn-1-yl trihydrogen diphosphate

0CH

0CH
Name:	4-hydroxybutyl trihydrogen diphosphate
Formula:	C4 H12 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCCCO)O
InChi:	InChI=1S/C4H12O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h5H,1-4H2,(H,9,10)(H2,6,7,8)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-hydroxybutyl trihydrogen diphosphate

0CJ

0CJ
Name:	4-oxopentyl trihydrogen diphosphate
Formula:	C5 H12 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCCC(=O)C)O
InChi:	InChI=1S/C5H12O8P2/c1-5(6)3-2-4-12-15(10,11)13-14(7,8)9/h2-4H2,1H3,(H,10,11)(H2,7,8,9)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-oxopentyl trihydrogen diphosphate

0CM

0CM
Name:	but-2-yn-1-yl trihydrogen diphosphate
Formula:	C4 H8 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC#CC)O
InChi:	InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h4H2,1H3,(H,8,9)(H2,5,6,7)
Definition date:	2011-12-08
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	but-2-yn-1-yl trihydrogen diphosphate

0CN

0CN
Name:	buta-2,3-dien-1-yl trihydrogen diphosphate
Formula:	C4 H8 O7 P2
SMILES:	O=P(O)(O)OP(=O)(OCC=C=C)O
InChi:	InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h3H,1,4H2,(H,8,9)(H2,5,6,7)
Definition date:	2011-12-15
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	buta-2,3-dien-1-yl trihydrogen diphosphate

0J9

0J9
Name:	1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C19 H19 N5
SMILES:	n1c(c2c(nc1)n(nc2c4c3ccccc3ccc4)C(C)(C)C)N
InChi:	InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
Definition date:	2012-08-13
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

0JN

0JN
Name:	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C20 H21 N5
SMILES:	n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)(C)C)N
InChi:	InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
Definition date:	2012-08-13
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

0JX

0JX
Name:	(3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
Formula:	C4 H10 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCC=CO)O
InChi:	InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h1,3,5H,2,4H2,(H,9,10)(H2,6,7,8)/b3-1+
Definition date:	2012-01-27
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate

0K2

0K2
Name:	4-oxobutyl trihydrogen diphosphate
Formula:	C4 H10 O8 P2
SMILES:	O=P(O)(O)OP(=O)(OCCCC=O)O
InChi:	InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h3H,1-2,4H2,(H,9,10)(H2,6,7,8)
Definition date:	2012-01-27
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	4-oxobutyl trihydrogen diphosphate

0NJ

0NJ
Name:	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
Formula:	C14 H10 F N O S
SMILES:	Fc3ccccc3c1nc2ccc(OC)cc2s1
InChi:	InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
Definition date:	2012-03-18
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole

0R1

0R1
Name:	1,2-benzisoxazole
Formula:	C7 H5 N O
SMILES:	n2oc1ccccc1c2
InChi:	InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
Definition date:	2012-04-21
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	1,2-benzoxazole

0RU

0RU
Name:	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
Formula:	C14 H12 N4 O S
SMILES:	O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3
InChi:	InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
Definition date:	2012-05-07
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one

0RY

0RY
Name:	(2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
Formula:	C11 H10 N2 O4
SMILES:	O=C(Nc1cc(ccc1)C(=O)N)/C=CC(=O)O
InChi:	InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-
Definition date:	2012-05-11
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid

0RZ

0RZ
Name:	(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
Formula:	C11 H10 N2 O4
SMILES:	O=C(Nc1cc(ccc1)C(=O)N)C=CC(=O)O
InChi:	InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4+
Definition date:	2012-05-11
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid

0SF

0SF
Name:	(2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol
Formula:	C24 H21 Cl F7 N3 O3
SMILES:	FC(F)C(F)(F)Oc1cccc(c1)CN(c3nc(Oc2cc(c(Cl)cc2)CC)ccn3)CC(O)C(F)(F)F
InChi:	InChI=1S/C24H21ClF7N3O3/c1-2-15-11-16(6-7-18(15)25)37-20-8-9-33-22(34-20)35(13-19(36)23(28,29)30)12-14-4-3-5-17(10-14)38-24(31,32)21(26)27/h3-11,19,21,36H,2,12-13H2,1H3/t19-/m1/s1
Definition date:	2012-05-21
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol

0SK

0SK
Name:	8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
Formula:	C17 H18 F3 N3 O4 S
SMILES:	FC(F)(F)c2cc(c1SC(=NC(=O)c1c2)N4CCC3(OCC(O3)C)CC4)NO
InChi:	InChI=1S/C17H18F3N3O4S/c1-9-8-26-16(27-9)2-4-23(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(22-25)13(11)28-15/h6-7,9,22,25H,2-5,8H2,1H3/t9-/m0/s1
Definition date:	2012-05-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

0T6

0T6
Name:	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
Formula:	C18 H15 Cl N4 O2
SMILES:	Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C
InChi:	InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3
Definition date:	2012-05-31
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

0T7

0T7
Name:	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
Formula:	C25 H24 N4 O
SMILES:	n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
InChi:	InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3
Definition date:	2012-05-31
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

0UM

0UM
Name:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
Formula:	C18 H29 N7 O5
SMILES:	O=C(O)C(N)CCC(NCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1
Definition date:	2012-06-20
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid (non-preferred name)

16Y

16Y
Name:	16-hydroxyhexadecanoic acid
Formula:	C16 H32 O3
SMILES:	O=C(O)CCCCCCCCCCCCCCCO
InChi:	InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
Definition date:	2012-08-22
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	16-hydroxyhexadecanoic acid

LDZ

LDZ
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
Formula:	C26 H41 N3 O5
SMILES:	O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
Definition date:	2012-02-13
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide

MQN

MQN
Name:	2-methylquinolin-6-amine
Formula:	C10 H10 N2
SMILES:	n1c(ccc2cc(ccc12)N)C
InChi:	InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
Definition date:	2012-07-23
Last modified:	2012-08-31
Release date:	2012-08-31
Identifier:	2-methylquinolin-6-amine

NZF

NZF
Name:	(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
Formula:	C27 H30 F3 N5 O5
SMILES:	FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(ncc2)Nc3cc(OC)c(OC)c(OC)c3)C4
InChi:	InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
Definition date:	2012-06-22
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide

09J

09J
Name:	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide
Formula:	C24 H21 Cl F N5 O2
SMILES:	O=C(NC1CC1)c5cc(C3=Cc2nnc(n2N(C3=O)CC)c4c(F)cccc4Cl)c(cc5)C
InChi:	InChI=1S/C24H21ClFN5O2/c1-3-30-24(33)17(16-11-14(8-7-13(16)2)23(32)27-15-9-10-15)12-20-28-29-22(31(20)30)21-18(25)5-4-6-19(21)26/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,27,32)
Definition date:	2011-11-02
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide

UMC

UMC
Name:	2'-deoxy-5'-uridylic acid
Formula:	C9 H15 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O
InChi:	InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2012-08-03
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	2'-deoxy-5'-uridylic acid

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