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6W3

6W3
Name:	4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C27 H29 N3 O3 S
SMILES:	CN1CCC(CC1)Oc2ccc(OCc3ccccc3NC(=O)c4cc5sccc5n4C)cc2
InChi:	InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:	2016-07-08
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X0

6X0
Name:	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C29 H33 N3 O4 S
SMILES:	CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X3

6X3
Name:	4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C27 H29 N3 O3 S
SMILES:	CN1CCC(CC1)Oc2ccc(OCc3ccc(NC(=O)c4cc5sccc5n4C)cc3)cc2
InChi:	InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	4-methyl-~{N}-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide

6X5

6X5
Name:	~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:	C29 H33 N3 O4 S
SMILES:	CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4
InChi:	InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:	2016-07-12
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide

8KV

8KV
Name:	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
Formula:	C19 H19 N3 O3
SMILES:	c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3
InChi:	InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1
Definition date:	2017-02-13
Last modified:	2017-02-17
Release date:	2017-02-22
Identifier:	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea

UV8

UV8
Name:	3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
Formula:	C24 H27 Br O2
SMILES:	O=C(O)c1ccc(c(Br)c1)C=C(c2ccc3c(c2)C(CCC3(C)C)(C)C)C
InChi:	InChI=1S/C24H27BrO2/c1-15(12-17-6-7-18(22(26)27)14-21(17)25)16-8-9-19-20(13-16)24(4,5)11-10-23(19,2)3/h6-9,12-14H,10-11H2,1-5H3,(H,26,27)
Definition date:	2014-09-28
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid

U53

U53
Name:	ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate
Formula:	C16 H16 N2 O3 S
SMILES:	CCOC(=O)c1cnc2ccc(OC)cc2c1SCCC#N
InChi:	InChI=1S/C16H16N2O3S/c1-3-21-16(19)13-10-18-14-6-5-11(20-2)9-12(14)15(13)22-8-4-7-17/h5-6,9-10H,3-4,8H2,1-2H3
Definition date:	2016-04-06
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate

XT3

XT3
Name:	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
Formula:	C22 H22 N4 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CCCCC3)ccc1Oc4ccccc4C#N
InChi:	InChI=1S/C22H22N4O2/c23-13-18-8-4-5-9-21(18)28-22-11-10-16(12-20(22)27)14-26-15-19(24-25-26)17-6-2-1-3-7-17/h4-5,8-12,15,17,27H,1-3,6-7,14H2
Definition date:	2017-01-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

XT5

XT5
Name:	5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
Formula:	C19 H19 N3 O2
SMILES:	Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O
InChi:	InChI=1S/C19H19N3O2/c1-13-4-2-3-5-18(13)24-19-9-6-14(10-17(19)23)11-22-12-16(20-21-22)15-7-8-15/h2-6,9-10,12,15,23H,7-8,11H2,1H3
Definition date:	2017-01-12
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol

XTV

XTV
Name:	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
Formula:	C19 H16 N4 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4C#N
InChi:	InChI=1S/C19H16N4O2/c20-10-15-3-1-2-4-18(15)25-19-8-5-13(9-17(19)24)11-23-12-16(21-22-23)14-6-7-14/h1-5,8-9,12,14,24H,6-7,11H2
Definition date:	2017-01-12
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile

XTW

XTW
Name:	2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol
Formula:	C18 H16 Cl N3 O2
SMILES:	Oc1cc(Cn2cc(nn2)C3CC3)ccc1Oc4ccccc4Cl
InChi:	InChI=1S/C18H16ClN3O2/c19-14-3-1-2-4-17(14)24-18-8-5-12(9-16(18)23)10-22-11-15(20-21-22)13-6-7-13/h1-5,8-9,11,13,23H,6-7,10H2
Definition date:	2017-01-12
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol

70S

70S
Name:	2H-indazol-5-amine
Formula:	C7 H7 N3
SMILES:	Nc1ccc2c(c1)cnn2
InChi:	InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2H-indazol-5-amine

70T

70T
Name:	2-methyl-5-nitro-1H-indole
Formula:	C9 H8 N2 O2
SMILES:	c2c1cc(ccc1nc2C)[N+]([O-])=O
InChi:	InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-methyl-5-nitro-1H-indole

70V

70V
Name:	2-methylcyclohexane-1,3-dione
Formula:	C7 H10 O2
SMILES:	CC1C(CCCC1=O)=O
InChi:	InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-methylcyclohexane-1,3-dione

70W

70W
Name:	tert-butyl 4-aminopiperidine-1-carboxylate
Formula:	C10 H20 N2 O2
SMILES:	C(C)(C)(C)OC(N1CCC(N)CC1)=O
InChi:	InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	tert-butyl 4-aminopiperidine-1-carboxylate

718

718
Name:	6-hydroxy-3,4-dihydronaphthalen-1(2H)-one
Formula:	C10 H10 O2
SMILES:	c21C(=O)CCCc1cc(cc2)O
InChi:	InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	6-hydroxy-3,4-dihydronaphthalen-1(2H)-one

71A

71A
Name:	pyridin-3-ol
Formula:	C5 H5 N O
SMILES:	c1cncc(c1)O
InChi:	InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	pyridin-3-ol

71B

71B
Name:	3-fluoro-4-methoxyaniline
Formula:	C7 H8 F N O
SMILES:	COc1ccc(cc1F)N
InChi:	InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
Definition date:	2016-08-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-fluoro-4-methoxyaniline

71G

71G
Name:	3-aminobenzonitrile
Formula:	C7 H6 N2
SMILES:	c1(cc(N)ccc1)C#N
InChi:	InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-aminobenzonitrile

71J

71J
Name:	trans-cyclohexane-1,4-diol
Formula:	C6 H12 O2
SMILES:	OC1CCC(O)CC1
InChi:	InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	trans-cyclohexane-1,4-diol

71K

71K
Name:	2-methylbenzene-1,3-diamine
Formula:	C7 H10 N2
SMILES:	c1ccc(c(c1N)C)N
InChi:	InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-methylbenzene-1,3-diamine

71L

71L
Name:	4,6-dimethylpyridin-2-amine
Formula:	C7 H10 N2
SMILES:	c1(N)cc(cc(n1)C)C
InChi:	InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4,6-dimethylpyridin-2-amine

71M

71M
Name:	6-methylpyridin-2-amine
Formula:	C6 H8 N2
SMILES:	c1c(C)nc(cc1)N
InChi:	InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	6-methylpyridin-2-amine

71N

71N
Name:	2-(trifluoromethyl)-1H-benzimidazol-5-amine
Formula:	C8 H6 F3 N3
SMILES:	FC(F)(F)c2nc1c(cc(cc1)N)n2
InChi:	InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
Definition date:	2016-08-10
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-(trifluoromethyl)-1H-benzimidazol-5-amine

M7O

M7O
Name:	2-[(phenylmethyl)carbamoylamino]benzoic acid
Formula:	C15 H14 N2 O3
SMILES:	OC(=O)c1ccccc1NC(=O)NCc2ccccc2
InChi:	InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
Definition date:	2017-01-06
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[(phenylmethyl)carbamoylamino]benzoic acid

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