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8N7

8N7
Name:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
Formula:	C25 H30 N6 O3
SMILES:	C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5
InChi:	InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31)
Definition date:	2017-02-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide

8P1

8P1
Name:	6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:	C10 H11 N O
SMILES:	Nc1ccc2C(=O)CCCc2c1
InChi:	InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one

8P4

8P4
Name:	1-(4-fluorophenyl)thiourea
Formula:	C7 H7 F N2 S
SMILES:	NC(=S)Nc1ccc(F)cc1
InChi:	InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(4-fluorophenyl)thiourea

8P7

8P7
Name:	2-methyl-1~{H}-benzimidazole
Formula:	C8 H8 N2
SMILES:	Cc1[nH]c2ccccc2n1
InChi:	InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-methyl-1~{H}-benzimidazole

8PJ

8PJ
Name:	3-nitropyridin-2-ol
Formula:	C5 H4 N2 O3
SMILES:	Oc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	3-nitropyridin-2-ol

8RA

8RA
Name:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C11 H15 N3 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ncccc2
InChi:	InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

8RM

8RM
Name:	N-methylquinoline-3-carboxamide
Formula:	C11 H10 N2 O
SMILES:	N(C(=O)c2cc1ccccc1nc2)C
InChi:	InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylquinoline-3-carboxamide

8RP

8RP
Name:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Formula:	C13 H17 N O3
SMILES:	N2(C(C)=O)CCc1cc(c(cc1C2)OC)OC
InChi:	InChI=1S/C13H17NO3/c1-9(15)14-5-4-10-6-12(16-2)13(17-3)7-11(10)8-14/h6-7H,4-5,8H2,1-3H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one

8RS

8RS
Name:	1-(4-phenylpiperazin-1-yl)ethan-1-one
Formula:	C12 H16 N2 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ccccc2
InChi:	InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(4-phenylpiperazin-1-yl)ethan-1-one

8RV

8RV
Name:	N-(1-benzylpiperidin-4-yl)acetamide
Formula:	C14 H20 N2 O
SMILES:	N(C(C)=O)C1CCN(CC1)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(1-benzylpiperidin-4-yl)acetamide

8RY

8RY
Name:	N-methylpyrimidine-2-carboxamide
Formula:	C6 H7 N3 O
SMILES:	N(C)C(c1ncccn1)=O
InChi:	InChI=1S/C6H7N3O/c1-7-6(10)5-8-3-2-4-9-5/h2-4H,1H3,(H,7,10)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylpyrimidine-2-carboxamide

8S1

8S1
Name:	5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Formula:	C10 H7 Cl N4
SMILES:	n1cc(c(N)n1c2ccccc2Cl)C#N
InChi:	InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

8S4

8S4
Name:	1-[(4-methoxyphenyl)methyl]-1H-tetrazole
Formula:	C9 H10 N4 O
SMILES:	n2(Cc1ccc(OC)cc1)cnnn2
InChi:	InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[(4-methoxyphenyl)methyl]-1H-tetrazole

8S7

8S7
Name:	N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
Formula:	C8 H10 N2 O2
SMILES:	N(c1cc(C)no1)C(C2CC2)=O
InChi:	InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide

8SA

8SA
Name:	5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
Formula:	C9 H10 N2 O S
SMILES:	N(c1noc(C)c1)Cc2cccs2
InChi:	InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine

Y9B

Y9B
Name:	4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
Formula:	C15 H7 F4 N3 O2 S
SMILES:	Oc1nsnc1C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
InChi:	InChI=1S/C15H7F4N3O2S/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)
Definition date:	2017-01-16
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide

U91

U91
Name:	1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
Formula:	C18 H13 F4 N3 O2
SMILES:	Cn1nc(O)c(c1C)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
InChi:	InChI=1S/C18H13F4N3O2/c1-8-10(18(27)24-25(8)2)17(26)23-16-14(21)12(19)11(13(20)15(16)22)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,23,26)(H,24,27)
Definition date:	2017-01-16
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide

T73

T73
Name:	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
Formula:	C17 H22 O3
SMILES:	O=C(OC1C2(C(C(C1)CC2)(C)C)C)c3ccc(cc3)O
InChi:	InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14+,17+/m0/s1
Definition date:	2016-02-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate

HYT

HYT
Name:	2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
Formula:	C16 H10 F4 N4 O2
SMILES:	Cn1nc(O)c(n1)C(=O)Nc2c(F)c(F)c(c(F)c2F)c3ccccc3
InChi:	InChI=1S/C16H10F4N4O2/c1-24-22-14(16(26)23-24)15(25)21-13-11(19)9(17)8(10(18)12(13)20)7-5-3-2-4-6-7/h2-6H,1H3,(H,21,25)(H,23,26)
Definition date:	2017-01-16
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide

7BZ

7BZ
Name:	N,N-dimethylboranamine
Formula:	C2 H8 B N
SMILES:	BN(C)C
InChi:	InChI=1S/C2H8BN/c1-4(2)3/h3H2,1-2H3
Definition date:	2016-09-30
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	N,N-dimethylboranamine

6B0

6B0
Name:	(2,3-dichlorophenyl)methanol
Formula:	C7 H6 Cl2 O
SMILES:	OCc1cccc(Cl)c1Cl
InChi:	InChI=1S/C7H6Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
Definition date:	2016-02-26
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2,3-dichlorophenyl)methanol

6B9

6B9
Name:	2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid
Formula:	C21 H13 N O5 S
SMILES:	O=C(O)c1cc(N=[C@H]S)ccc1C2=C4C(Oc3c2ccc(c3)O)=CC(=O)C=C4
InChi:	InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26)
Definition date:	2016-03-01
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid

6BX

6BX
Name:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	O=S(O)(CC(CN1CCOCC1)O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

6BY

6BY
Name:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
Formula:	C7 H15 N O5 S
SMILES:	OS(CC(O)CN1CCOCC1)(=O)=O
InChi:	InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1
Definition date:	2016-03-04
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	(2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid

6TN

6TN
Name:	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Formula:	C19 H23 N3 O4
SMILES:	CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O
InChi:	InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3
Definition date:	2016-06-22
Last modified:	2017-03-03
Release date:	2017-03-08
Identifier:	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone

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