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: 35774 results BIRD

6Q2

6Q2
Name:	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
Formula:	C21 H19 N3 O2
SMILES:	c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4
InChi:	InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
Definition date:	2016-05-19
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one

75O

75O
Name:	6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid
Formula:	C17 H16 Cl N3 O3
SMILES:	n2cc(c3cc(c1c(nc(cc1)N(C)C)OC)c(cc23)Cl)C(O)=O
InChi:	InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)
Definition date:	2016-09-01
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carboxylic acid

76U

76U
Name:	(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
Formula:	C13 H20 F N2 O7 P
SMILES:	c1(c(c(c(C)nc1)O)CNC(CF)CCC(O)=O)COP(O)(O)=O
InChi:	InChI=1S/C13H20FN2O7P/c1-8-13(19)11(6-16-10(4-14)2-3-12(17)18)9(5-15-8)7-23-24(20,21)22/h5,10,16,19H,2-4,6-7H2,1H3,(H,17,18)(H2,20,21,22)/t10-/m0/s1
Definition date:	2016-09-08
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid

77J

77J
Name:	N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
Formula:	C13 H13 N3 O3 S
SMILES:	C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O
InChi:	InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18)
Definition date:	2016-03-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide

77W

77W
Name:	(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
Formula:	C25 H22 F N O3
SMILES:	c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O
InChi:	InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1
Definition date:	2016-09-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid

782

782
Name:	(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
Formula:	C28 H29 N O3
SMILES:	c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O
InChi:	InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1
Definition date:	2016-09-12
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid

7IA

7IA
Name:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid
Formula:	C12 H10 N2 O3 S
SMILES:	C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O
InChi:	InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)
Definition date:	2016-03-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid

81G

81G
Name:	(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one
Formula:	C21 H21 F N4 O2 S
SMILES:	n5ncc(c1sc4c(c1)NC2(CCC(CC2)(O)c3ccc(cc3)F)NC4=O)c5C
InChi:	InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+
Definition date:	2016-12-14
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one

8E1

8E1
Name:	4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
Formula:	C16 H12 N4 O3 S2
SMILES:	c1cc(ccc1S(=O)(=O)N)NC=C4c2c(ccc3ncsc23)NC4=O
InChi:	InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-
Definition date:	2017-01-26
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide

8G1

8G1
Name:	(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
Formula:	C26 H18 Cl F N4 O4
SMILES:	C=51C(CCN(C1=O)Cc2ccc(c(c2)Cl)F)=C6C(=O)NC3(CCc4c3c(C#N)ccc4)N6C(C=5O)=O
InChi:	InChI=1S/C26H18ClFN4O4/c27-17-10-13(4-5-18(17)28)12-31-9-7-16-19(24(31)35)22(33)25(36)32-21(16)23(34)30-26(32)8-6-14-2-1-3-15(11-29)20(14)26/h1-5,10,33H,6-9,12H2,(H,30,34)/t26-/m1/s1
Definition date:	2017-02-03
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile

8G4

8G4
Name:	(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione
Formula:	C28 H24 Cl F N4 O6
SMILES:	Fc1ccc(cc1Cl)CN2C(C=7C(CC2)=C3N(C6(N(C3=O)CCN4C(C=CC4=O)=O)C5CC5CC6)C(=O)C=7O)=O
InChi:	InChI=1S/C28H24ClFN4O6/c29-18-11-14(1-2-19(18)30)13-31-8-6-16-22(25(31)38)24(37)27(40)34-23(16)26(39)33(28(34)7-5-15-12-17(15)28)10-9-32-20(35)3-4-21(32)36/h1-4,11,15,17,37H,5-10,12-13H2/t15-,17+,28+/m1/s1
Definition date:	2017-02-03
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione

8GJ

8GJ
Name:	(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Formula:	C18 H21 F N2 O6 S
SMILES:	C2(c1ccc(cc1F)OC)=CC(N(C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C18H21FN2O6S/c1-18(17(23)20-24,28(3,25)26)7-9-21-8-6-12(10-16(21)22)14-5-4-13(27-2)11-15(14)19/h4-6,8,10-11,24H,7,9H2,1-3H3,(H,20,23)/t18-/m1/s1
Definition date:	2017-02-04
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide

8KW

8KW
Name:	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
Formula:	C15 H16 O3
SMILES:	COc1cc(O)cc(CCc2ccccc2O)c1
InChi:	InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
Definition date:	2017-02-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol

8MA

8MA
Name:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
Formula:	C26 H26 F N3 O3
SMILES:	C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4ccc(cc4)F)=O
InChi:	InChI=1S/C26H26FN3O3/c27-19-10-12-20(13-11-19)28-24-16-18(26(32)33)9-14-22(24)30-25(31)23-8-4-7-21(29-23)15-17-5-2-1-3-6-17/h4,7-14,16-17,28H,1-3,5-6,15H2,(H,30,31)(H,32,33)
Definition date:	2017-02-16
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid

8N4

8N4
Name:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
Formula:	C27 H26 F3 N3 O4
SMILES:	C1CC(CCC1)Cc2cccc(n2)C(Nc3c(cc(C(O)=O)cc3)Nc4cccc(c4)OC(F)(F)F)=O
InChi:	InChI=1S/C27H26F3N3O4/c28-27(29,30)37-21-10-4-8-20(16-21)32-24-15-18(26(35)36)12-13-22(24)33-25(34)23-11-5-9-19(31-23)14-17-6-2-1-3-7-17/h4-5,8-13,15-17,32H,1-3,6-7,14H2,(H,33,34)(H,35,36)
Definition date:	2017-02-21
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid

8Q4

8Q4
Name:	2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
Formula:	C20 H21 Cl N2 O4
SMILES:	CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl
InChi:	InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24)
Definition date:	2017-02-28
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate

8Q8

8Q8
Name:	(2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide
Formula:	C27 H31 N5 O3
SMILES:	CC(C)(N)[CH](N[CH]1CCc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)C(=O)NO
InChi:	InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25-/m1/s1
Definition date:	2017-02-23
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide

8R4

8R4
Name:	2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid
Formula:	C25 H21 N O3
SMILES:	c1(c(C(O)=O)ccc(c1)c2coc3ncc(cc23)c4ccccc4)C5CCCC5
InChi:	InChI=1S/C25H21NO3/c27-25(28)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-29-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,27,28)
Definition date:	2017-03-03
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid

8SH

8SH
Name:	(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
Formula:	C15 H25 O3 P S
SMILES:	CCO[P](=O)(OCC)[CH](CS)CCCc1ccccc1
InChi:	InChI=1S/C15H25O3PS/c1-3-17-19(16,18-4-2)15(13-20)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15,20H,3-4,8,11-13H2,1-2H3/t15-/m1/s1
Definition date:	2016-12-09
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	(2~{R})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol

8V4

8V4
Name:	N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
Formula:	C10 H11 N3 O2
SMILES:	n1(CC)cc(cn1)NC(=O)c2ccoc2
InChi:	InChI=1S/C10H11N3O2/c1-2-13-6-9(5-11-13)12-10(14)8-3-4-15-7-8/h3-7H,2H2,1H3,(H,12,14)
Definition date:	2017-03-06
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide

8V7

8V7
Name:	2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
Formula:	C14 H14 N6 O S
SMILES:	c3n(c(c2nc(C(=O)Nc1ncccc1)cs2)nn3)C(C)C
InChi:	InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21)
Definition date:	2017-03-06
Last modified:	2017-03-24
Release date:	2017-03-29
Identifier:	2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide

UGI

UGI
Name:	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C18 H21 F3 N6 O
SMILES:	Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F
InChi:	InChI=1S/C18H21F3N6O/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-5-7-28-8-6-26)25-17(24-14)27-3-1-2-4-27/h9-11H,1-8H2,(H2,22,23)
Definition date:	2016-10-31
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

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

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

<992 993 994 995 996 997 9989991000 1001 1002 1003 1004 1005 1006 1007 >

227344

건을2024-11-13부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon