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: 35504 results BIRD

7TY

7TY
Name:	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C29 H33 N O5
SMILES:	c1c(c(ccc1)OCCCCCC(O)=O)CN(C2CCCC2)C(c4ccc(c3cocc3)cc4)=O
InChi:	InChI=1S/C29H33NO5/c31-28(32)12-2-1-7-18-35-27-11-6-3-8-24(27)20-30(26-9-4-5-10-26)29(33)23-15-13-22(14-16-23)25-17-19-34-21-25/h3,6,8,11,13-17,19,21,26H,1-2,4-5,7,9-10,12,18,20H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7U1

7U1
Name:	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid
Formula:	C29 H31 N O4
SMILES:	c1cccc(c1CN(C2CC2)C(c3ccc(cc3)c4ccccc4)=O)OCCCCCC(O)=O
InChi:	InChI=1S/C29H31NO4/c31-28(32)13-5-2-8-20-34-27-12-7-6-11-25(27)21-30(26-18-19-26)29(33)24-16-14-23(15-17-24)22-9-3-1-4-10-22/h1,3-4,6-7,9-12,14-17,26H,2,5,8,13,18-21H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid

7U4

7U4
Name:	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C28 H30 N2 O4
SMILES:	n4cccc(c1ccc(cc1)C(N(Cc2ccccc2OCCCCCC(O)=O)C3CC3)=O)c4
InChi:	InChI=1S/C28H30N2O4/c31-27(32)10-2-1-5-18-34-26-9-4-3-7-24(26)20-30(25-15-16-25)28(33)22-13-11-21(12-14-22)23-8-6-17-29-19-23/h3-4,6-9,11-14,17,19,25H,1-2,5,10,15-16,18,20H2,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7U7

7U7
Name:	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H29 N O5
SMILES:	c4c(CN(C1CC1)C(c3ccc(c2occc2)cc3)=O)c(OCCCCCC(O)=O)ccc4
InChi:	InChI=1S/C27H29NO5/c29-26(30)10-2-1-5-17-32-25-8-4-3-7-22(25)19-28(23-15-16-23)27(31)21-13-11-20(12-14-21)24-9-6-18-33-24/h3-4,6-9,11-14,18,23H,1-2,5,10,15-17,19H2,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UA

7UA
Name:	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H29 N O5
SMILES:	c4c(CN(C1CC1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(O)=O
InChi:	InChI=1S/C27H29NO5/c29-26(30)8-2-1-5-16-33-25-7-4-3-6-22(25)18-28(24-13-14-24)27(31)21-11-9-20(10-12-21)23-15-17-32-19-23/h3-4,6-7,9-12,15,17,19,24H,1-2,5,8,13-14,16,18H2,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UD

7UD
Name:	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C31 H31 N O5
SMILES:	c4c(CN(Cc1ccccc1)C(c3ccc(c2cocc2)cc3)=O)c(ccc4)OCCCCCC(=O)O
InChi:	InChI=1S/C31H31NO5/c33-30(34)13-5-2-8-19-37-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-36-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UG

7UG
Name:	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C31 H31 N O4 S
SMILES:	c4c(CN(Cc1ccccc1)C(c3ccc(c2cscc2)cc3)=O)c(ccc4)OCCCCCC(=O)O
InChi:	InChI=1S/C31H31NO4S/c33-30(34)13-5-2-8-19-36-29-12-7-6-11-27(29)22-32(21-24-9-3-1-4-10-24)31(35)26-16-14-25(15-17-26)28-18-20-37-23-28/h1,3-4,6-7,9-12,14-18,20,23H,2,5,8,13,19,21-22H2,(H,33,34)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7UJ

7UJ
Name:	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid
Formula:	C29 H33 N O4
SMILES:	c1c(c(ccc1)OCCCCCC(O)=O)CN(C(C)C)C(c2ccc(cc2)c3ccccc3)=O
InChi:	InChI=1S/C29H33NO4/c1-22(2)30(29(33)25-18-16-24(17-19-25)23-11-5-3-6-12-23)21-26-13-8-9-14-27(26)34-20-10-4-7-15-28(31)32/h3,5-6,8-9,11-14,16-19,22H,4,7,10,15,20-21H2,1-2H3,(H,31,32)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid

7UY

7UY
Name:	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O4 S
SMILES:	c1cccc(c1CN(C(C)C)C(c2ccc(cc2)c3ccsc3)=O)OCCCCCC(O)=O
InChi:	InChI=1S/C27H31NO4S/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-33-19-24)18-23-8-5-6-9-25(23)32-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7V1

7V1
Name:	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O5
SMILES:	c3c(CN(C(C)C)C(c1ccc(cc1)c2ccco2)=O)c(OCCCCCC(=O)O)ccc3
InChi:	InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-15-13-21(14-16-22)24-11-8-18-33-24)19-23-9-5-6-10-25(23)32-17-7-3-4-12-26(29)30/h5-6,8-11,13-16,18,20H,3-4,7,12,17,19H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid

7V4

7V4
Name:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O5
SMILES:	c3c(CN(C(C)C)C(c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)=O
InChi:	InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-32-19-24)18-23-8-5-6-9-25(23)33-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid

4W0

4W0
Name:	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one
Formula:	C24 H17 F4 N O2
SMILES:	c1cc2c(c(c1)F)C(C(=C(N2)c3ccc(cc3)Cc4ccc(OC(F)(F)F)cc4)C)=O
InChi:	InChI=1S/C24H17F4NO2/c1-14-22(29-20-4-2-3-19(25)21(20)23(14)30)17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)31-24(26,27)28/h2-12H,13H2,1H3,(H,29,30)
Definition date:	2015-06-09
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one

6L1

6L1
Name:	5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C14 H21 N6 O8 P
SMILES:	c21n(cnc1c(ncn2)N)C3OC(COP(OC(CC(C)N)=O)(O)=O)C(O)C3O
InChi:	InChI=1S/C14H21N6O8P/c1-6(15)2-8(21)28-29(24,25)26-3-7-10(22)11(23)14(27-7)20-5-19-9-12(16)17-4-18-13(9)20/h4-7,10-11,14,22-23H,2-3,15H2,1H3,(H,24,25)(H2,16,17,18)/t6-,7+,10+,11+,14+/m0/s1
Definition date:	2016-04-26
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine

QVR

QVR
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol
Formula:	C12 H15 N5 O3
SMILES:	CC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C12H15N5O3/c1-2-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h2-6,8-9,12,18-19H,1H3,(H2,13,14,15)/b3-2+/t6-,8-,9-,12-/m1/s1
Definition date:	2016-12-22
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol

RPQ

RPQ
Name:	D-rhamnopyranose tetrazole
Formula:	C6 H10 N4 O3
SMILES:	C[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12
InChi:	InChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1
Definition date:	2016-12-20
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(5~{S},6~{S},7~{R},8~{S})-5-methyl-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol

BMK

BMK
Name:	(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
Formula:	C16 H15 N
SMILES:	CC23c1c(cccc1)CC(N2)c4ccccc34
InChi:	InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
Definition date:	2017-01-31
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene

8AM

8AM
Name:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Formula:	C20 H28 F N9 O2
SMILES:	C1C(NC(=O)CC)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C(C)C)F
InChi:	InChI=1S/C20H28FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h8,10-13H,6-7,9H2,1-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1
Definition date:	2017-01-17
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

8B4

8B4
Name:	(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol
Formula:	C11 H16 F N5 O9 P2
SMILES:	c2nc1c(ncnn1c2C3C(F)(C)C(O)C(O3)COP(OP(O)(O)=O)(O)=O)N
InChi:	InChI=1S/C11H16FN5O9P2/c1-11(12)7(18)6(3-24-28(22,23)26-27(19,20)21)25-8(11)5-2-14-10-9(13)15-4-16-17(5)10/h2,4,6-8,18H,3H2,1H3,(H,22,23)(H2,13,15,16)(H2,19,20,21)/t6-,7-,8+,11-/m1/s1
Definition date:	2017-01-17
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol

8BP

8BP
Name:	N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Formula:	C19 H26 F N9 O
SMILES:	C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2)c4c(n3)n(cn4)C(C)C)F
InChi:	InChI=1S/C19H26FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h6-7,10-11,13-14H,5,8-9H2,1-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1
Definition date:	2017-01-17
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

8BS

8BS
Name:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Formula:	C18 H24 F N9 O2
SMILES:	C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C)F
InChi:	InChI=1S/C18H24FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h7,9-11H,5-6,8H2,1-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1
Definition date:	2017-01-17
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

6QT

6QT
Name:	(2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one
Formula:	C15 H12 O4
SMILES:	Oc1cccc(c1)[CH]2CC(=O)c3cc(O)ccc3O2
InChi:	InChI=1S/C15H12O4/c16-10-3-1-2-9(6-10)15-8-13(18)12-7-11(17)4-5-14(12)19-15/h1-7,15-17H,8H2/t15-/m1/s1
Definition date:	2016-05-26
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one

6ZR

6ZR
Name:	(3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
Formula:	C20 H23 N O6
SMILES:	COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3
InChi:	InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18-/m1/s1
Definition date:	2016-08-02
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(3~{R},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

GH4

GH4
Name:	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
Formula:	C21 H19 F N4 O3
SMILES:	Fc1cnc(C=N)nc1N(CCOc2ccccc2)Cc3ccc4OCOc4c3
InChi:	InChI=1S/C21H19FN4O3/c22-17-12-24-20(11-23)25-21(17)26(8-9-27-16-4-2-1-3-5-16)13-15-6-7-18-19(10-15)29-14-28-18/h1-7,10-12,23H,8-9,13-14H2/b23-11+
Definition date:	2016-12-21
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-2-(iminomethyl)-~{N}-(2-phenoxyethyl)pyrimidin-4-amine

5JJ

5JJ
Name:	N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine
Formula:	C20 H17 Cl2 N3
SMILES:	c1cc(N)c2c(n1)ccc(c2)N(c3c(Cl)cccc3Cl)CC#CCC
InChi:	InChI=1S/C20H17Cl2N3/c1-2-3-4-12-25(20-16(21)6-5-7-17(20)22)14-8-9-19-15(13-14)18(23)10-11-24-19/h5-11,13H,2,12H2,1H3,(H2,23,24)
Definition date:	2015-10-02
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	N~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine

5JT

5JT
Name:	(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
Formula:	C11 H15 N5
SMILES:	c2nc3c(c(N1CC(CCC1)N)n2)ccn3
InChi:	InChI=1S/C11H15N5/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6,12H2,(H,13,14,15)/t8-/m1/s1
Definition date:	2015-10-05
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine

<949 950 951 952 953 954 955956957 958 959 960 961 962 963 964 >

224931

건을2024-09-11부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon