Chemie Search results for query - 日本蛋白质结构数据库

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: 43993 results BIRD

QIA

QIA
Name:	5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
Formula:	C19 H14 N4 O2
SMILES:	OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24
InChi:	InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25)
Definition date:	2022-10-31
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid

C9I

C9I
Name:	(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:	C23 H23 N5 O3
SMILES:	CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34
InChi:	InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1
Definition date:	2021-12-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide

QO6

QO6
Name:	N-(2,3-dihydro-1H-inden-5-yl)acetamide
Formula:	C11 H13 N O
SMILES:	CC(=O)Nc1ccc2CCCc2c1
InChi:	InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
Synonyms:	~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide
Definition date:	2022-11-09
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide

QRD

QRD
Name:	8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C19 H19 Cl F3 N5 O
SMILES:	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(ccc3Cl)C(F)(F)F
InChi:	InChI=1S/C19H19ClF3N5O/c1-25-18-26-10-11-8-14(13-9-12(19(21,22)23)4-5-15(13)20)17(29)28(16(11)27-18)7-3-2-6-24/h4-5,8-10H,2-3,6-7,24H2,1H3,(H,25,26,27)
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

QRR

QRR
Name:	8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C18 H20 Cl N5 O
SMILES:	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl
InChi:	InChI=1S/C18H20ClN5O/c1-21-18-22-11-12-10-14(13-6-2-3-7-15(13)19)17(25)24(16(12)23-18)9-5-4-8-20/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,22,23)
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

CI5

CI5
Name:	(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:	C24 H24 N4 O3
SMILES:	CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34
InChi:	InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1
Definition date:	2021-12-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide

BJ6

BJ6
Name:	3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
Formula:	C18 H15 N O3
SMILES:	OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
InChi:	InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
Definition date:	2022-03-29
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid

8PN

8PN
Name:	(2S)-but-3-yn-2-amine
Formula:	C4 H7 N
SMILES:	C[CH](N)C#C
InChi:	InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1
Synonyms:	2-Aminobutin
Definition date:	2021-10-28
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-but-3-yn-2-amine

90I

90I
Name:	benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
Formula:	C29 H36 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4
InChi:	InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1
Synonyms:	(phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Definition date:	2021-11-10
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

90X

90X
Name:	(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide
Formula:	C29 H34 Cl2 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4
InChi:	InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1
Synonyms:	(2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide
Definition date:	2021-11-10
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide

8IY

8IY
Name:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C32 H37 F N4 O5
SMILES:	CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:	InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1
Definition date:	2021-10-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

E3J

E3J
Name:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:	C13 H18 N2 O2 S
SMILES:	Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:	InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:	2021-12-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide

DJ5

DJ5
Name:	N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide
Formula:	C27 H52 N3 O8 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC
InChi:	InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1
Definition date:	2021-11-30
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

ET7

ET7
Name:	~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
Formula:	C23 H19 F N2 O2 S
SMILES:	CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13
InChi:	InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27)
Definition date:	2022-01-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide

HNU

HNU
Name:	(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide
Formula:	C10 H17 N3 O3
SMILES:	CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C
InChi:	InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1
Definition date:	2022-02-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide

HQX

HQX
Name:	(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
Formula:	C11 H17 Br N2 O2
SMILES:	CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1
Definition date:	2022-02-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide

HWC

HWC
Name:	3-azanyl-5-bromanyl-1-methyl-pyridin-2-one
Formula:	C6 H7 Br N2 O
SMILES:	CN1C=C(Br)C=C(N)C1=O
InChi:	InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
Definition date:	2022-02-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	3-azanyl-5-bromanyl-1-methyl-pyridin-2-one

I90

I90
Name:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
Formula:	C25 H20 N6 O3
SMILES:	Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2
InChi:	InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one

I94

I94
Name:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Formula:	C28 H23 F3 N6 O2
SMILES:	CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2
InChi:	InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39)
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide

IIS

IIS
Name:	4-iodanylpyridin-2-amine
Formula:	C5 H5 I N2
SMILES:	Nc1cc(I)ccn1
InChi:	InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-iodanylpyridin-2-amine

IIV

IIV
Name:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
Formula:	C9 H12 Br N3 O3
SMILES:	CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide

IIY

IIY
Name:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide
Formula:	C7 H10 N2 O2
SMILES:	CC(=O)NCC(=O)N=CC=C
InChi:	InChI=1S/C7H10N2O2/c1-3-4-8-7(11)5-9-6(2)10/h3-4H,1,5H2,2H3,(H,9,10)/b8-4+
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide

IJ3

IJ3
Name:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
Formula:	C10 H19 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCCCBr
InChi:	InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide

IJF

IJF
Name:	(4-bromanylpyridin-2-yl)methanol
Formula:	C6 H6 Br N O
SMILES:	OCc1cc(Br)ccn1
InChi:	InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(4-bromanylpyridin-2-yl)methanol

IJI

IJI
Name:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
Formula:	C11 H19 N5 O2
SMILES:	CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:	InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
Definition date:	2022-03-22
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide

<261 262 263 264 265 266 267268269 270 271 272 273 274 275 276 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon