Chemie Search results for query - 日本蛋白質結構資料庫

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: 7228 results BIRD

1G6

1G6
Name:	N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form
Formula:	C37 H50 N8 O5 S
SMILES:	NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1
InChi:	InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1
Definition date:	2013-01-22
Last modified:	2024-05-08
Release date:	2013-01-25
Identifier:	4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide

EJA

EJA
Name:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
Formula:	C6 H10 N2 O5 S
SMILES:	NC(CSC(=N/O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1
Definition date:	2018-01-12
Last modified:	2024-05-08
Release date:	2018-06-06
Identifier:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine

8VV

8VV
Name:	(1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium
Formula:	C12 H21 N4 O5 S
SMILES:	O=S(CC(N)C(=O)O)c1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1
InChi:	InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22+/m0/s1
Definition date:	2017-03-08
Last modified:	2024-05-08
Release date:	2018-03-07
Identifier:	(1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium

9OR

9OR
Name:	3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid
Formula:	C20 H25 N4 O12 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2N(c2cc(C)c(C)cc21)C(=O)CC(=O)O
InChi:	InChI=1S/C20H25N4O12P/c1-8-3-10-11(4-9(8)2)24(14(27)5-15(28)29)16-18(21-20(32)22-19(16)31)23(10)6-12(25)17(30)13(26)7-36-37(33,34)35/h3-4,12-13,17,25-26,30H,5-7H2,1-2H3,(H,28,29)(H2,33,34,35)(H2,21,22,31,32)/t12-,13+,17-/m0/s1
Definition date:	2018-06-15
Last modified:	2024-05-08
Release date:	2019-06-19
Identifier:	1-[5-(carboxyacetyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol

Y6Z

Y6Z
Name:	Antascomicine B
Formula:	C37 H57 N O10
SMILES:	C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O
InChi:	InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1
Synonyms:	(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone
Definition date:	2023-11-23
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone

A1AOE

A1AOE
Name:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Formula:	C15 H21 F3 N2 O2
SMILES:	OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

A1AOF

A1AOF
Name:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
Formula:	C14 H18 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21
InChi:	InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol

A1AON

A1AON
Name:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol
Formula:	C19 H21 Cl2 F3 N4 O2
SMILES:	OC(CN1CCC(CC1)Nc1nc(ccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)/t13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol

A1H9U

A1H9U
Name:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide
Formula:	C10 H14 N2 O
SMILES:	CCC(=O)Nc1cccc(N)c1C
InChi:	InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
Synonyms:	N-(3-amino-2-methylphenyl)propanamide
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide

LVK

LVK
Name:	4-propanoylbenzoic acid
Formula:	C10 H10 O3
SMILES:	OC(=O)c1ccc(cc1)C(=O)CC
InChi:	InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-propanoylbenzoic acid

HWF

HWF
Name:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
Formula:	C13 H17 N O2
SMILES:	O=C(O)C(Cc1ccccc1)C1CCNC1
InChi:	InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
Synonyms:	LY3353871
Definition date:	2023-07-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

TXJ

TXJ
Name:	[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
Formula:	C8 H16 N3 O12 P3
SMILES:	NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1
InChi:	InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1
Definition date:	2023-05-10
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

U7O

U7O
Name:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one
Formula:	C18 H22 N4 O3
SMILES:	CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O
InChi:	InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3
Definition date:	2023-05-24
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one

9R4

9R4
Name:	D-gamma-glutamyl-2-methyl-L-alanine
Formula:	C9 H16 N2 O5
SMILES:	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
InChi:	InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1
Definition date:	2017-06-01
Last modified:	2024-04-30
Release date:	2017-11-15
Identifier:	D-gamma-glutamyl-2-methyl-L-alanine

W53

W53
Name:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide
Formula:	C23 H26 N8 O
SMILES:	NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3
InChi:	InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31)
Definition date:	2023-09-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide

Y6E

Y6E
Name:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
Formula:	C25 H23 F N4 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1
InChi:	InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
Definition date:	2023-06-12
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile

A1H2H

A1H2H
Name:	(2~{S})-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid
Formula:	C9 H9 F N2 O4
SMILES:	N[CH](Cc1ccc(c(F)c1)[N+]([O-])=O)C(O)=O
InChi:	InChI=1S/C9H9FN2O4/c10-6-3-5(4-7(11)9(13)14)1-2-8(6)12(15)16/h1-3,7H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2024-01-18
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-azanyl-3-(3-fluoranyl-4-nitro-phenyl)propanoic acid

A1H2I

A1H2I
Name:	(2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid
Formula:	C11 H12 N2 O4
SMILES:	N[CH](C[CH]1C(=O)Nc2ccc(O)cc12)C(O)=O
InChi:	InChI=1S/C11H12N2O4/c12-8(11(16)17)4-7-6-3-5(14)1-2-9(6)13-10(7)15/h1-3,7-8,14H,4,12H2,(H,13,15)(H,16,17)/t7-,8-/m0/s1
Definition date:	2024-01-18
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid

SD0

SD0
Name:	(S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide
Formula:	C13 H20 B N2 O6
SMILES:	N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O
InChi:	InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal
Definition date:	2023-08-30
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid

UAC

UAC
Name:	(2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide
Formula:	C45 H65 Cl N8 O6
SMILES:	C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4
InChi:	InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1
Definition date:	2023-05-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide

E9A

E9A
Name:	1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium
Formula:	C27 H35 N2 O3
SMILES:	CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1
InChi:	InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1
Definition date:	2017-12-13
Last modified:	2024-04-25
Release date:	2018-12-12
Identifier:	1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium

8QJ

8QJ
Name:	(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium
Formula:	C9 H16 N3 O3 S
SMILES:	OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1
InChi:	InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2017-03-01
Last modified:	2024-04-25
Release date:	2018-03-07
Identifier:	(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium

5XU

5XU
Name:	(2~{S})-2-azanylpropanal
Formula:	C3 H7 N O
SMILES:	C[CH](N)C=O
InChi:	InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1
Synonyms:	Ala-aldehyde
Definition date:	2015-12-25
Last modified:	2024-04-24
Release date:	2016-02-10
Identifier:	(2~{S})-2-azanylpropanal

CHM

CHM
Name:	1,3-DICHLORO-PROPAN-2-ONE
Formula:	C3 H4 Cl2 O
SMILES:	ClCC(=O)CCl
InChi:	InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
Synonyms:	Bis(chloromethyl) ketone
Definition date:	2002-11-15
Last modified:	2024-04-24
Identifier:	1,3-dichloropropan-2-one

ZLF

ZLF
Name:	S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE
Formula:	C11 H14 F N O2 S
SMILES:	Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
InChi:	InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid

<1 2 3 4 567 8 9 10 11 12 13 14 15 16 >

222624

數據於2024-07-17公開中

PDB statistics

PDBj update info

Contact PDBj

numon