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: 35267 results BIRD

ZOI

ZOI
Name:	N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
Formula:	C19 H21 N5 O3
SMILES:	COC1(CCOC1)c1nc(ccc1)c1cn(C)c2cnc(NC(N)=O)cc21
InChi:	InChI=1S/C19H21N5O3/c1-24-10-13(12-8-17(23-18(20)25)21-9-15(12)24)14-4-3-5-16(22-14)19(26-2)6-7-27-11-19/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,23,25)/t19-/m0/s1
Definition date:	2023-06-29
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea

ZOQ

ZOQ
Name:	N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
Formula:	C19 H20 N4 O3 S
SMILES:	CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1
InChi:	InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24)
Definition date:	2023-06-29
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide

XOQ

XOQ
Name:	1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine
Formula:	C23 H29 N5 O
SMILES:	Cc1nn(C)c(C)c1CCOc1cccnc1c1cccc(c1)N1CCNCC1
InChi:	InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3
Definition date:	2022-12-03
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine

XRB

XRB
Name:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
Formula:	C27 H27 N7 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N
InChi:	InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+
Definition date:	2022-12-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile

ZVJ

ZVJ
Name:	Fenoterol
Formula:	C17 H21 N O4
SMILES:	Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1
InChi:	InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
Definition date:	2023-04-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol

XTI

XTI
Name:	6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine
Formula:	C13 H13 N7 S
SMILES:	Cn1cncc1C1=CN(CCS1)c1ncnc2[NH]cnc12
InChi:	InChI=1S/C13H13N7S/c1-19-8-14-4-9(19)10-5-20(2-3-21-10)13-11-12(16-6-15-11)17-7-18-13/h4-8H,2-3H2,1H3,(H,15,16,17,18)
Synonyms:	Aplithianine A
Definition date:	2022-12-07
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine

ZWD

ZWD
Name:	N-(4-aminobenzoyl)glycine
Formula:	C9 H10 N2 O3
SMILES:	O=C(NCC(=O)O)c1ccc(N)cc1
InChi:	InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
Synonyms:	Para-aminohippuric acid
Definition date:	2023-04-10
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-(4-aminobenzoyl)glycine

XTT

XTT
Name:	6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one
Formula:	C13 H13 N7 O S
SMILES:	Cn1cncc1C1=CN(CCS1)c1ncnc2NC(=O)Nc12
InChi:	InChI=1S/C13H13N7OS/c1-19-7-14-4-8(19)9-5-20(2-3-22-9)12-10-11(15-6-16-12)18-13(21)17-10/h4-7H,2-3H2,1H3,(H2,15,16,17,18,21)
Synonyms:	Aplithianine B
Definition date:	2022-12-07
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one

XU0

XU0
Name:	6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine
Formula:	C13 H12 Br N7 S
SMILES:	Brc1ncn(C)c1C1=CN(CCS1)c1ncnc2nc[NH]c12
InChi:	InChI=1S/C13H12BrN7S/c1-20-7-19-11(14)10(20)8-4-21(2-3-22-8)13-9-12(16-5-15-9)17-6-18-13/h4-7H,2-3H2,1H3,(H,15,16,17,18)
Definition date:	2022-12-07
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine

JYF

JYF
Name:	(~{Z})-1,2-bis(chloranyl)ethene
Formula:	C2 H2 Cl2
SMILES:	ClC=CCl
InChi:	InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
Definition date:	2023-08-10
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(~{Z})-1,2-bis(chloranyl)ethene

1HI

1HI
Name:	2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
Formula:	C12 H14 N2 O
SMILES:	C1CNC[CH](C1)c2oc3ccccc3n2
InChi:	InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1
Definition date:	2022-10-13
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	2-[(3~{S})-piperidin-3-yl]-1,3-benzoxazole

1IE

1IE
Name:	~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
Formula:	C19 H16 N2 S
SMILES:	CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1
InChi:	InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3
Definition date:	2022-10-13
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine

I0Z

I0Z
Name:	1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one
Formula:	C29 H39 N5 O2
SMILES:	CC(C)N1CCC(CC1)C(=O)N2CCC[CH](C2)Cn3c4ccccc4nc3C5=CN(C)C(=O)C(=C5)C
InChi:	InChI=1S/C29H39N5O2/c1-20(2)32-14-11-23(12-15-32)29(36)33-13-7-8-22(17-33)18-34-26-10-6-5-9-25(26)30-27(34)24-16-21(3)28(35)31(4)19-24/h5-6,9-10,16,19-20,22-23H,7-8,11-15,17-18H2,1-4H3/t22-/m1/s1
Definition date:	2023-07-25
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one

KWI

KWI
Name:	1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide
Formula:	C18 H16 Cl N7 O2
SMILES:	Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23
InChi:	InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27)
Definition date:	2022-10-25
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	1-[(2-chlorophenyl)methyl]-3-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide

OZ6

OZ6
Name:	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C26 H43 N5 O5
SMILES:	CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h13-19H,9-12H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2023-02-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

OZB

OZB
Name:	(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
Formula:	C24 H34 F N5 O4 S2
SMILES:	CC(C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3
InChi:	InChI=1S/C24H34FN5O4S2/c1-22(2,3)17(29-21(34)23(25)5-6-23)20(33)30-13-24(35-8-9-36-24)11-16(30)19(32)28-15(12-26)10-14-4-7-27-18(14)31/h14-17H,4-11,13H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t14-,15-,16-,17+/m0/s1
Definition date:	2023-02-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide

OZL

OZL
Name:	(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
Formula:	C25 H40 N6 O4 S2
SMILES:	CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C(C)(C)C
InChi:	InChI=1S/C25H40N6O4S2/c1-23(2,3)18(29-22(35)30-24(4,5)6)21(34)31-14-25(36-9-10-37-25)12-17(31)20(33)28-16(13-26)11-15-7-8-27-19(15)32/h15-18H,7-12,14H2,1-6H3,(H,27,32)(H,28,33)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1
Definition date:	2023-02-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide

P0O

P0O
Name:	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C29 H47 N5 O5
SMILES:	CC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C
InChi:	InChI=1S/C29H47N5O5/c1-16(35)10-11-18(14-17-12-13-30-23(17)36)31-24(37)21-20-19(29(20,8)9)15-34(21)25(38)22(27(2,3)4)32-26(39)33-28(5,6)7/h10-11,17-22H,12-15H2,1-9H3,(H,30,36)(H,31,37)(H2,32,33,39)/b11-10+/t17-,18+,19-,20-,21-,22+/m0/s1
Definition date:	2023-02-28
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-5-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

N1K

N1K
Name:	N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide
Formula:	C15 H19 N7 O
SMILES:	CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
InChi:	InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)
Definition date:	2023-01-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide

PQL

PQL
Name:	(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
Formula:	C22 H30 F3 N5 O4 S2
SMILES:	CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2
InChi:	InChI=1S/C22H30F3N5O4S2/c1-20(2,3)15(29-19(34)22(23,24)25)18(33)30-11-21(35-6-7-36-21)9-14(30)17(32)28-13(10-26)8-12-4-5-27-16(12)31/h12-15H,4-9,11H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t12-,13-,14-,15+/m0/s1
Definition date:	2023-03-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide

UCU

UCU
Name:	(2R)-2-oxidanylbutanoic acid
Formula:	C4 H8 O3
SMILES:	CC[CH](O)C(O)=O
InChi:	InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
Synonyms:	(R)-2-Hydroxybutanoic acid
Definition date:	2023-05-26
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(2~{R})-2-oxidanylbutanoic acid

UE3

UE3
Name:	(2R)-2-oxidanylpentanoic acid
Formula:	C5 H10 O3
SMILES:	CCC[CH](O)C(O)=O
InChi:	InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
Synonyms:	(2R)-2-hydroxypentanoic acid
Definition date:	2023-05-26
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(2~{R})-2-oxidanylpentanoic acid

UEI

UEI
Name:	(2R,3S)-3-methyl-2-oxidanyl-pentanoic acid
Formula:	C6 H12 O3
SMILES:	CC[CH](C)[CH](O)C(O)=O
InChi:	InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
Synonyms:	(2R,3S)-2-hydroxy-3-methylpentanoic acid
Definition date:	2023-05-27
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(2~{R},3~{S})-3-methyl-2-oxidanyl-pentanoic acid

UIT

UIT
Name:	(2R)-2-oxidanyloctanoic acid
Formula:	C8 H16 O3
SMILES:	CCCCCC[CH](O)C(O)=O
InChi:	InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
Definition date:	2023-06-03
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	(2~{R})-2-oxidanyloctanoic acid

P6E

P6E
Name:	N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide
Formula:	C20 H17 Cl N2 O4 S
SMILES:	N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3cccc(Cl)c3
InChi:	InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26)
Definition date:	2023-03-04
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide

<122 123 124 125 126 127 128129130 131 132 133 134 135 136 137 >

222926

数据于2024-07-24公开中

PDB statistics

PDBj update info

Contact PDBj

numon