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L4F

L4F
Name:	2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
Formula:	C41 H49 N7 O6 S
SMILES:	NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5
InChi:	InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1
Definition date:	2022-11-10
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate

L4R

L4R
Name:	Fmoc-(R)-2-(7-octenyl)alanine
Formula:	C11 H21 N O2
SMILES:	C[C](N)(CCCCCCC=C)C(O)=O
InChi:	InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
Definition date:	2022-06-16
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid

6KF

6KF
Name:	(2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)
Formula:	C39 H44 N6 O5
SMILES:	N(C(Cc1ccccc1)C(NC(Cc3ccc(c2ccccc2)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(C)C(O)C(CO)C)=O)=[N+]=[N-]
InChi:	InChI=1S/C39H44N6O5/c1-26(25-46)36(47)27(2)41-37(48)33(22-28-12-6-3-7-13-28)42-38(49)34(23-30-18-20-32(21-19-30)31-16-10-5-11-17-31)43-39(50)35(44-45-40)24-29-14-8-4-9-15-29/h3-21,26-27,33-36,46-47H,22-25H2,1-2H3,(H,41,48)(H,42,49)(H,43,50)/t26-,27+,33+,34+,35+,36+/m1/s1
Definition date:	2016-04-22
Last modified:	2024-09-27
Release date:	2016-08-03
Identifier:	(2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)

6KG

6KG
Name:	Nalpha-[(2S)-2-{[(2S)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide
Formula:	C37 H54 N6 O5
SMILES:	c1ccc(cc1)CC(C(NC(C(=O)NC(Cc2ccccc2)C(NC(CC(C)C)C(O)C(C)CO)=O)CCC3CCCCC3)=O)N=[N+]=[N-]
InChi:	InChI=1S/C37H54N6O5/c1-25(2)21-31(34(45)26(3)24-44)40-36(47)32(22-28-15-9-5-10-16-28)41-35(46)30(20-19-27-13-7-4-8-14-27)39-37(48)33(42-43-38)23-29-17-11-6-12-18-29/h5-6,9-12,15-18,25-27,30-34,44-45H,4,7-8,13-14,19-24H2,1-3H3,(H,39,48)(H,40,47)(H,41,46)/t26-,30+,31+,32+,33+,34+/m1/s1
Definition date:	2016-04-22
Last modified:	2024-09-27
Release date:	2016-08-03
Identifier:	Nalpha-[(2S)-2-{[(2S)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide

L5P

L5P
Name:	(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
Formula:	C11 H23 N2 O9 P
SMILES:	NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
InChi:	InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
Definition date:	2014-11-17
Last modified:	2024-09-27
Release date:	2015-01-14
Identifier:	(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)

6KZ

6KZ
Name:	N-[(2S)-4-methyl-1-oxidanylidene-1-[[(1R,2S)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
Formula:	C23 H33 N5 O5
SMILES:	O=C(N1CCOCC1)NC(C(=O)NC(C(O)c2nc(on2)c3ccccc3)CC)CC(C)C
InChi:	InChI=1S/C23H33N5O5/c1-4-17(19(29)20-26-22(33-27-20)16-8-6-5-7-9-16)24-21(30)18(14-15(2)3)25-23(31)28-10-12-32-13-11-28/h5-9,15,17-19,29H,4,10-14H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+/m0/s1
Definition date:	2013-12-06
Last modified:	2024-09-27
Release date:	2014-02-26
Identifier:	N-[(1R,2S)-1-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide

6L3

6L3
Name:	methyl 2,4,6-trimethylbenzoate
Formula:	C11 H14 O2
SMILES:	Cc1c(c(cc(c1)C)C)C(=O)OC
InChi:	InChI=1S/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3
Definition date:	2016-04-26
Last modified:	2024-09-27
Release date:	2016-05-04
Identifier:	methyl 2,4,6-trimethylbenzoate

6L4

6L4
Name:	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Formula:	C17 H15 Cl N6 O2
SMILES:	Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
InChi:	InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)
Synonyms:	N-(2-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide
Definition date:	2016-04-26
Last modified:	2024-09-27
Release date:	2017-02-15
Identifier:	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

L61

L61
Name:	2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C14 H19 N O3
SMILES:	O=C(OCC(C)C)NC(c1ccccc1)CC=O
InChi:	InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate

6L5

6L5
Name:	(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)
Formula:	C20 H28 N8 O8
SMILES:	n1c2n(cnc2c(N)nc1)C3OC(C(=O)NCCCCCC(=O)NC(CC(=O)O)C(N)=O)C(C3O)O
InChi:	InChI=1S/C20H28N8O8/c21-16-12-18(25-7-24-16)28(8-26-12)20-14(33)13(32)15(36-20)19(35)23-5-3-1-2-4-10(29)27-9(17(22)34)6-11(30)31/h7-9,13-15,20,32-33H,1-6H2,(H2,22,34)(H,23,35)(H,27,29)(H,30,31)(H2,21,24,25)/t9-,13+,14-,15+,20-/m1/s1
Definition date:	2016-04-27
Last modified:	2024-09-27
Release date:	2016-05-11
Identifier:	(3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)

L62

L62
Name:	cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C15 H19 N O3
SMILES:	O=C(OC1CCCC1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate

6L8

6L8
Name:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
Formula:	C17 H12 F6 N6 O
SMILES:	c3c(cc(c2ncn(CC(C(=O)N)c1cncnc1)n2)cc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H12F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-5,7-8,13H,6H2,(H2,24,30)/t13-/m0/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2016-06-29
Identifier:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide

6L9

6L9
Name:	[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid
Formula:	C6 H10 N2 O5
SMILES:	OC(C(C(=O)O)CC(C(=O)N)N)=O
InChi:	InChI=1S/C6H10N2O5/c7-3(4(8)9)1-2(5(10)11)6(12)13/h2-3H,1,7H2,(H2,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2017-05-10
Identifier:	[(2S)-2,3-diamino-3-oxopropyl]propanedioic acid

L68

L68
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H16 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid

L6B

L6B
Name:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
Formula:	C15 H18 N2 O4
SMILES:	COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate

L6C

L6C
Name:	phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C16 H15 N O3
SMILES:	O=C(Oc1ccccc1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate

L6E

L6E
Name:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
Formula:	C17 H21 N3 O5
SMILES:	CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O
InChi:	InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate

L6H

L6H
Name:	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
Formula:	C28 H38 N4 O7
SMILES:	O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3
InChi:	InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1
Definition date:	2019-07-23
Last modified:	2024-09-27
Release date:	2019-11-27
Identifier:	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate

6LN

6LN
Name:	ethane-1,2-dithiol
Formula:	C2 H6 S2
SMILES:	C(S)CS
InChi:	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
Definition date:	2016-05-02
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	ethane-1,2-dithiol

L70

L70
Name:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
Formula:	C19 H28 Cl2 N4 O2 S2
SMILES:	CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
InChi:	InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
Definition date:	2022-06-20
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

L71

L71
Name:	(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
Formula:	C13 H16 N2 O2
SMILES:	O=C2N(C(=O)CC2c1cccc(c1)CN)CC
InChi:	InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
Definition date:	2014-07-02
Last modified:	2024-09-27
Release date:	2015-03-04
Identifier:	(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione

6M4

6M4
Name:	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
Formula:	C7 H8 B O3
SMILES:	c1c2c(ccc1)[B+](OC2)(O)O
InChi:	InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
Definition date:	2016-05-04
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium

6M6

6M6
Name:	S-[(2-phenylethyl)carbamothioyl]-L-cysteine
Formula:	C12 H16 N2 O2 S2
SMILES:	S(C(NCCc1ccccc1)=S)CC(C(O)=O)N
InChi:	InChI=1S/C12H16N2O2S2/c13-10(11(15)16)8-18-12(17)14-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1
Definition date:	2016-05-05
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	S-[(2-phenylethyl)carbamothioyl]-L-cysteine

6M9

6M9
Name:	2,1-benzoxaborol-1(3H)-ol
Formula:	C7 H7 B O2
SMILES:	c21B(OCc1cccc2)O
InChi:	InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
Definition date:	2016-05-05
Last modified:	2024-09-27
Release date:	2016-10-19
Identifier:	2,1-benzoxaborol-1(3H)-ol

L7L

L7L
Name:	(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
Formula:	C19 H27 Cl2 N3 O3 S2
SMILES:	CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2
InChi:	InChI=1S/C19H27Cl2N3O3S2/c1-23(2)7-9-29-28-8-5-22-18(26)13-4-3-6-24(12-13)19(27)14-10-15(20)17(25)16(21)11-14/h10-11,13,25H,3-9,12H2,1-2H3,(H,22,26)/t13-/m0/s1
Definition date:	2022-06-20
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

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