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

6FH

6FH
Name:	(6~{S})-6-methyloctanoic acid
Formula:	C9 H18 O2
SMILES:	CC[CH](C)CCCCC(O)=O
InChi:	InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
Definition date:	2016-04-13
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(6~{S})-6-methyloctanoic acid

6KK

6KK
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
Formula:	C32 H48 N2 O8 S
SMILES:	c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)CC64CC5CC(C4)CC(C5)C6)CC(C)C)=O)OC
InChi:	InChI=1S/C32H48N2O8S/c1-20(2)17-34(43(37,38)25-6-4-24(39-3)5-7-25)18-28(35)27(16-32-13-21-10-22(14-32)12-23(11-21)15-32)33-31(36)42-29-19-41-30-26(29)8-9-40-30/h4-7,20-23,26-30,35H,8-19H2,1-3H3,(H,33,36)/t21-,22+,23-,26-,27-,28+,29-,30+,32-/m0/s1
Definition date:	2016-04-22
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate

6KQ

6KQ
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
Formula:	C35 H46 N2 O8 S
SMILES:	c1(ccc(cc1)S(=O)(N(Cc2ccccc2)CC(O)C(CC53CC4CC(C3)CC(C4)C5)NC(OC7C6CCOC6OC7)=O)=O)OC
InChi:	InChI=1S/C35H46N2O8S/c1-42-27-7-9-28(10-8-27)46(40,41)37(20-23-5-3-2-4-6-23)21-31(38)30(19-35-16-24-13-25(17-35)15-26(14-24)18-35)36-34(39)45-32-22-44-33-29(32)11-12-43-33/h2-10,24-26,29-33,38H,11-22H2,1H3,(H,36,39)/t24-,25+,26-,29-,30-,31+,32-,33+,35-/m0/s1
Definition date:	2016-04-22
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate

6KR

6KR
Name:	(3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
Formula:	C33 H50 N2 O8 S
SMILES:	O=S(c1ccc(cc1)OC)(N(CC(C)C)CC(O)C(NC(OC2COC3OCCCC23)=O)CC64CC5CC(C4)CC(C5)C6)=O
InChi:	InChI=1S/C33H50N2O8S/c1-21(2)18-35(44(38,39)26-8-6-25(40-3)7-9-26)19-29(36)28(17-33-14-22-11-23(15-33)13-24(12-22)16-33)34-32(37)43-30-20-42-31-27(30)5-4-10-41-31/h6-9,21-24,27-31,36H,4-5,10-20H2,1-3H3,(H,34,37)/t22-,23+,24-,27-,28-,29+,30-,31+,33-/m0/s1
Definition date:	2016-04-22
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate

6ND

6ND
Name:	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
Formula:	C18 H17 F2 N5 O3 S2
SMILES:	c2(c(nc(C(NCc1cnc(s1)C)=O)cn2)C)CNS(c3cc(c(F)cc3)F)(=O)=O
InChi:	InChI=1S/C18H17F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-6,8,24H,7,9H2,1-2H3,(H,23,26)
Definition date:	2016-05-10
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide

6OQ

6OQ
Name:	2-ethyl-1,2-dihydro-1,2-azaborinine
Formula:	C6 H10 B N
SMILES:	CCB1NC=CC=C1
InChi:	InChI=1S/C6H10BN/c1-2-7-5-3-4-6-8-7/h3-6,8H,2H2,1H3
Definition date:	2016-05-13
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	2-ethyl-1,2-dihydro-1,2-azaborinine

T51

T51
Name:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
Formula:	C34 H35 N5 O5
SMILES:	O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-]
InChi:	InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41)
Definition date:	2015-09-30
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide

T53

T53
Name:	N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
Formula:	C34 H35 N5 O5
SMILES:	O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C
InChi:	InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41)
Definition date:	2015-09-30
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide

8DT

8DT
Name:	5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine
Formula:	C14 H20 N3 O9 P
SMILES:	CC(=O)NCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
InChi:	InChI=1S/C14H20N3O9P/c1-8(18)15-4-2-3-9-6-17(14(21)16-13(9)20)12-5-10(19)11(26-12)7-25-27(22,23)24/h2-3,6,10-12,19H,4-5,7H2,1H3,(H,15,18)(H,16,20,21)(H2,22,23,24)/b3-2+/t10-,11+,12+/m0/s1
Definition date:	2016-09-12
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-acetamidoprop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

6QH

6QH
Name:	5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide
Formula:	C16 H16 Cl N5 O3
SMILES:	COc1ccc(cc1Cl)c2ocnc2C(=O)NCCCn3cncn3
InChi:	InChI=1S/C16H16ClN5O3/c1-24-13-4-3-11(7-12(13)17)15-14(20-10-25-15)16(23)19-5-2-6-22-9-18-8-21-22/h3-4,7-10H,2,5-6H2,1H3,(H,19,23)
Definition date:	2016-05-24
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	5-(3-chloranyl-4-methoxy-phenyl)-~{N}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide

6SU

6SU
Name:	methyl 3-(methylsulfonylamino)benzoate
Formula:	C9 H11 N O4 S
SMILES:	COC(=O)c1cccc(N[S](C)(=O)=O)c1
InChi:	InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
Definition date:	2016-06-15
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	methyl 3-(methylsulfonylamino)benzoate

6U5

6U5
Name:	~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide
Formula:	C12 H17 N3 O2 S
SMILES:	CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1
InChi:	InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3
Definition date:	2016-06-24
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide

6XR

6XR
Name:	(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C13 H10 N2 O3 S2
SMILES:	OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O
InChi:	InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1
Definition date:	2016-07-19
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

6Y4

6Y4
Name:	[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
Formula:	C21 H22 F3 N5 O3 S
SMILES:	CC(C)[CH]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F
InChi:	InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1
Definition date:	2016-07-21
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	[2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol

6Y8

6Y8
Name:	(6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
Formula:	C20 H22 F N5 O3 S
SMILES:	COc1ncc(F)c(n1)N2Cc3cn(nc3[CH]2C(C)C)c4cccc(c4)[S](C)(=O)=O
InChi:	InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(10-25(18)19-16(21)9-22-20(23-19)29-3)11-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-9,11-12,18H,10H2,1-4H3/t18-/m1/s1
Definition date:	2016-07-22
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole

71P

71P
Name:	~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide
Formula:	C22 H25 N O5 S
SMILES:	COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC
InChi:	InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1
Definition date:	2016-08-12
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide

B05

B05
Name:	N-[2-(benzyloxy)phenyl]-3-nitrobenzamide
Formula:	C20 H16 N2 O4
SMILES:	O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3
InChi:	InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)
Definition date:	2015-09-29
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	N-[2-(benzyloxy)phenyl]-3-nitrobenzamide

5KW

5KW
Name:	2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide
Formula:	C23 H24 Cl2 N6 O2
SMILES:	CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Oc3ccccc3NC(CCl)=O)n4
InChi:	InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(H,28,32)(H,26,27,29)
Definition date:	2015-10-15
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide

GOP

GOP
Name:	Glucopine
Formula:	C11 H22 N2 O8
SMILES:	NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O
InChi:	InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6-,7+,9+,10+/m0/s1
Definition date:	2016-06-12
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid

4HE

4HE
Name:	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron
Formula:	C40 H36 Cl Fe N4 O4
SMILES:	O=C(O)CCC1=C(C=7N2C1=CC5=N4[Fe]26(n3c(c([C@H]=C)c(C)c3C=C4C(C)=C5CCC(O)=O)C=C8N6=C(C=7)C(=C8C)C=C)c9ccc(cc9)Cl)C
InChi:	InChI=1S/C34H34N4O4.C6H4Cl.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2016-03-14
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron

ID1

ID1
Name:	Imipenem
Formula:	C12 H19 N3 O4 S
SMILES:	C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O
InChi:	InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1
Definition date:	2015-11-14
Last modified:	2016-09-16
Release date:	2016-09-21
Identifier:	(2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

VGX

VGX
Name:	4-hydroxy-2-oxobutanoic acid
Formula:	C4 H6 O4
SMILES:	C(CC(=O)C(O)=O)O
InChi:	InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
Definition date:	2016-08-03
Last modified:	2016-09-09
Release date:	2016-09-14
Identifier:	4-hydroxy-2-oxobutanoic acid

X28

X28
Name:	3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID
Formula:	C23 H21 N O3
SMILES:	NC(=O)c1ccc(Cc2ccccc2)cc1c3cccc(CCC(O)=O)c3
InChi:	InChI=1S/C23H21NO3/c24-23(27)20-11-9-18(13-16-5-2-1-3-6-16)15-21(20)19-8-4-7-17(14-19)10-12-22(25)26/h1-9,11,14-15H,10,12-13H2,(H2,24,27)(H,25,26)
Definition date:	2016-04-29
Last modified:	2016-09-09
Release date:	2016-09-14
Identifier:	3-[3-[2-aminocarbonyl-5-(phenylmethyl)phenyl]phenyl]propanoic acid

75C

75C
Name:	5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
Formula:	C25 H44 N9 O13 P S2
SMILES:	O=P(O)(O)OCC(C(C(NCCC(NCCSC(C(N)CO)CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)=O)=O)O)(C)C
InChi:	InChI=1S/C25H44N9O13PS2/c1-25(2,10-46-48(41,42)43)20(39)23(40)29-4-3-16(36)28-5-6-49-15(13(26)8-35)9-50(44,45)33-7-14-18(37)19(38)24(47-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)(H2,41,42,43)/t13-,14+,15-,18+,19+,20-,24+/m0/s1
Definition date:	2016-08-26
Last modified:	2016-09-09
Release date:	2016-09-14
Identifier:	5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine

9JH

9JH
Name:	4-BENZYLBENZAMIDE
Formula:	C14 H13 N O
SMILES:	NC(=O)c1ccc(Cc2ccccc2)cc1
InChi:	InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
Definition date:	2016-04-29
Last modified:	2016-09-09
Release date:	2016-09-14
Identifier:	4-(phenylmethyl)benzamide

<984 985 986 987 988 989 990991992 993 994 995 996 997 998 999 >

224931

건을2024-09-11부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon