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2PM

2PM
Name:	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE
Formula:	C17 H21 N O
SMILES:	O(CCN(C)C)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
Synonyms:	DIPHENHYDRAMINE
Definition date:	2005-08-30
Last modified:	2020-05-26
Identifier:	2-(diphenylmethoxy)-N,N-dimethylethanamine

AFE

AFE
Name:	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
Formula:	C21 H20 O10
SMILES:	O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4
InChi:	InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
Synonyms:	afzelin
Definition date:	2012-04-19
Last modified:	2020-05-26
Release date:	2012-08-31
Identifier:	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside

AHD

AHD
Name:	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE
Formula:	C4 H9 N O7 P2
SMILES:	[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-]
InChi:	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4
Synonyms:	ALENDRONATE
Definition date:	2005-01-11
Last modified:	2020-05-26
Identifier:	(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate)

AM2

AM2
Name:	APRAMYCIN
Formula:	C21 H41 N5 O11
SMILES:	O3C(OC1OC(CO)C(N)C(O)C1O)C(NC)C(O)C4OC(OC2C(N)CC(N)C(O)C2O)C(N)CC34
InChi:	InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1
Synonyms:	NEBRAMYCIN II
Definition date:	2005-02-17
Last modified:	2020-05-26
Identifier:	(2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name)

4MK

4MK
Name:	5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
Formula:	C28 H36 Cl N5 O3 S
SMILES:	O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3cc(c(cc3OC(C)C)C4CCNCC4)C)C(C)C
InChi:	InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
Synonyms:	Ceritinib
Definition date:	2013-09-16
Last modified:	2020-05-26
Release date:	2014-04-09
Identifier:	5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine

4MP

4MP
Name:	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE
Formula:	C12 H13 N O3
SMILES:	O=C2N(C(=O)c1ccc(OC)cc1)CCC2
InChi:	InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
Synonyms:	ANIRACETAM
Definition date:	2005-08-15
Last modified:	2020-05-26
Identifier:	1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one

BEQ

BEQ
Name:	N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
Formula:	C19 H38 N2 O3
SMILES:	[O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
InChi:	InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
Synonyms:	N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE
Definition date:	2005-01-12
Last modified:	2020-05-26
Identifier:	{[3-(dodecanoylamino)propyl](dimethyl)ammonio}acetate

BIT

BIT
Name:	(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE
Formula:	C18 H16 N2 O2
SMILES:	O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4)C
InChi:	InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
Synonyms:	(S)-BLEBBISTATIN
Definition date:	2005-02-25
Last modified:	2020-05-26
Identifier:	(3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one

B41

B41
Name:	(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Formula:	C11 H15 N O2
SMILES:	O1c2ccc(cc2OC1)CC(NC)C
InChi:	InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1
Synonyms:	3,4 methylenedioxy-n-methylamphetamine
Definition date:	2009-03-18
Last modified:	2020-05-26
Identifier:	(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

BMO

BMO
Name:	N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
Formula:	C32 H31 N5
SMILES:	n2c1c(cccc1)c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cccc6
InChi:	InChI=1S/C32H31N5/c1-5-15-27-23(11-1)31(24-12-2-6-16-28(24)36-27)34-21-9-19-33-20-10-22-35-32-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)32/h1-8,11-18,33H,9-10,19-22H2,(H,34,36)(H,35,37)
Synonyms:	1,3-PROPANEDIAMINE
Definition date:	2006-04-25
Last modified:	2020-05-26
Identifier:	N-acridin-9-yl-N'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine

BNT

BNT
Name:	2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE
Formula:	C10 H10 Br2 O2
SMILES:	BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C
InChi:	InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
Synonyms:	2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE
Definition date:	2005-09-26
Last modified:	2020-05-26
Identifier:	2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione

BUI

BUI
Name:	(3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE
Formula:	C22 H45 N3 O3
SMILES:	[O-]C(=O)CC(NC(=O)NCCCCCCCCCCCCCC)C[N+](C)(C)C
InChi:	InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1
Synonyms:	ST1326
Definition date:	2006-02-06
Last modified:	2020-05-26
Identifier:	(3R)-3-[(tetradecylcarbamoyl)amino]-4-(trimethylammonio)butanoate

BUN

BUN
Name:	(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Formula:	C15 H12 O5
SMILES:	O=C(c1ccc(O)cc1O)C=Cc2cc(O)c(O)cc2
InChi:	InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
Synonyms:	2',3,4,4'-Tetrahydroxychalcone
Definition date:	2014-10-20
Last modified:	2020-05-26
Release date:	2015-10-21
Identifier:	(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

VJK

VJK
Name:	(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide
Formula:	C18 H19 F3 N6 O
SMILES:	C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C
InChi:	InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1
Synonyms:	Decernotinib
Definition date:	2015-03-20
Last modified:	2020-05-26
Release date:	2015-08-12
Identifier:	N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide

FHR

FHR
Name:	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Formula:	C25 H32 N4 O4
SMILES:	O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3
InChi:	InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1
Definition date:	2020-05-14
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide

FJC

FJC
Name:	~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Formula:	C25 H25 F N4 O4
SMILES:	Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
InChi:	InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1
Definition date:	2020-05-14
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide

E2C

E2C
Name:	5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine
Formula:	C21 H27 Cl N2 O
SMILES:	CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13
InChi:	InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine

E2F

E2F
Name:	2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
Formula:	C19 H21 Cl N2 O
SMILES:	Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1
InChi:	InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine

E2L

E2L
Name:	2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine
Formula:	C20 H23 Cl N2 O
SMILES:	Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1
InChi:	InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine

E2O

E2O
Name:	7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
Formula:	C19 H22 Cl N3 O
SMILES:	Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1
InChi:	InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine

E2R

E2R
Name:	4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
Formula:	C19 H21 Cl N2 O
SMILES:	N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
InChi:	InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15-
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine

E2U

E2U
Name:	2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
Formula:	C20 H25 Cl N4 O
SMILES:	NCCN1CCC(CC1)CCN2c3ccncc3Oc4ccc(Cl)cc24
InChi:	InChI=1S/C20H25ClN4O/c21-16-1-2-19-18(13-16)25(17-3-8-23-14-20(17)26-19)11-6-15-4-9-24(10-5-15)12-7-22/h1-3,8,13-15H,4-7,9-12,22H2
Definition date:	2019-10-02
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine

D2L

D2L
Name:	[(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
Formula:	C26 H51 N O4 S
SMILES:	CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O
InChi:	InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1
Definition date:	2019-06-05
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	[(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate

EJF

EJF
Name:	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide
Formula:	C27 H37 N5 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O
InChi:	InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1
Definition date:	2020-01-07
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide

EOC

EOC
Name:	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
Formula:	C23 H31 N3 O4
SMILES:	CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
InChi:	InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1
Definition date:	2020-01-17
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide

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