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: 44195 results BIRD

WXE

WXE
Name:	Macrofusine
Formula:	C34 H59 N O15
SMILES:	CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20-,21-,22+,23-,24-,25-,26+,27+,32-/m0/s1
Synonyms:	(2R)-2-[2-[(5S,6S,7R,9S,11S,16S,18R,19S)-19-azanyl-6-[(3S)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
Definition date:	2023-10-17
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	(2~{R})-2-[2-[(5~{S},6~{S},7~{R},9~{S},11~{S},16~{S},18~{R},19~{S})-19-azanyl-6-[(3~{S})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

WXN

WXN
Name:	3-(((2-cycloheptylethyl)(methyl)amino)methyl)-N-methyl-1H-indol-7-amine
Formula:	C20 H31 N3
SMILES:	CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12
InChi:	InChI=1S/C20H31N3/c1-21-19-11-7-10-18-17(14-22-20(18)19)15-23(2)13-12-16-8-5-3-4-6-9-16/h7,10-11,14,16,21-22H,3-6,8-9,12-13,15H2,1-2H3
Synonyms:	3-[[2-cycloheptylethyl(methyl)amino]methyl]-N-methyl-1H-indol-7-amine
Definition date:	2023-10-17
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	3-[[2-cycloheptylethyl(methyl)amino]methyl]-~{N}-methyl-1~{H}-indol-7-amine

WXR

WXR
Name:	N-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1H-indol-7-yl]-N-methyl-methanamide
Formula:	C21 H31 N3 O
SMILES:	CN(CCC1CCCCCC1)Cc2c[nH]c3c(cccc23)N(C)C=O
InChi:	InChI=1S/C21H31N3O/c1-23(13-12-17-8-5-3-4-6-9-17)15-18-14-22-21-19(18)10-7-11-20(21)24(2)16-25/h7,10-11,14,16-17,22H,3-6,8-9,12-13,15H2,1-2H3
Definition date:	2023-10-17
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	~{N}-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-yl]-~{N}-methyl-methanamide

WYZ

WYZ
Name:	2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid
Formula:	C21 H21 N3 O7 S2
SMILES:	N[S](=O)(=O)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)[S](=O)(=O)c3cccnc3)cc1
InChi:	InChI=1S/C21H21N3O7S2/c22-32(27,28)19-8-6-16(7-9-19)13-24(33(29,30)20-5-2-10-23-12-20)14-17-3-1-4-18(11-17)31-15-21(25)26/h1-12H,13-15H2,(H,25,26)(H2,22,27,28)
Synonyms:	2-(3-((N-(4-sulfamoylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid
Definition date:	2023-10-17
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid

6I5

6I5
Name:	[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate
Formula:	C24 H24 N4 O5 S
SMILES:	CC[S](=O)(=O)Oc1ccc(OC)c(c1)c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:	InChI=1S/C24H24N4O5S/c1-5-34(30,31)33-18-6-7-22(32-4)19(10-18)21-14-27-23-20(21)9-16(13-26-23)15-8-17(12-25-11-15)24(29)28(2)3/h6-14H,5H2,1-4H3,(H,26,27)
Definition date:	2023-02-07
Last modified:	2024-10-18
Release date:	2024-10-23
Identifier:	[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate

BZ2

BZ2
Name:	1-benzofuran-2-carboxylic acid
Formula:	C9 H6 O3
SMILES:	O=C(O)c2oc1ccccc1c2
InChi:	InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
Definition date:	2009-08-11
Last modified:	2024-10-18
Identifier:	1-benzofuran-2-carboxylic acid

U8S

U8S
Name:	3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
Formula:	C6 H11 N3 O3
SMILES:	NC(CC1=CNC(O)N1)C(=O)O
InChi:	InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1
Definition date:	2022-08-10
Last modified:	2024-10-15
Release date:	2023-10-18
Identifier:	3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine

KDU

KDU
Name:	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
Formula:	C19 H14 Cl2 N6 O
SMILES:	Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
InChi:	InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)
Definition date:	2023-08-10
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine

KE3

KE3
Name:	3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine
Formula:	C13 H13 Cl2 N5
SMILES:	Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1
InChi:	InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1
Definition date:	2023-08-10
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine

KEI

KEI
Name:	N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide
Formula:	C24 H35 Cl N2 O2
SMILES:	OCCCNCCCc1cc(c(Cl)cc1)C(=O)NCC12CC3CC(C1)CC(C2)C3
InChi:	InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)/t18-,19+,20-,24-
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide

X1K

X1K
Name:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Formula:	C20 H31 N O4
SMILES:	CC1(C)CCC[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
InChi:	InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1
Definition date:	2023-05-30
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

KF0

KF0
Name:	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide
Formula:	C14 H14 Cl F3 N2 O2
SMILES:	O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C
InChi:	InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide

KFM

KFM
Name:	4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)
Formula:	C37 H31 N3 O9 S3
SMILES:	OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1
InChi:	InChI=1S/C37H31N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)

XI5

XI5
Name:	[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C19 H29 N2 O6 P
SMILES:	CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O
InChi:	InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1
Definition date:	2023-11-02
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

YC3

YC3
Name:	3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine
Formula:	C16 H17 N O2 S
SMILES:	SCc1ccccc1c1cccc(CC(N)C(=O)O)c1
InChi:	InChI=1S/C16H17NO2S/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-20/h1-8,15,20H,9-10,17H2,(H,18,19)/t15-/m0/s1
Definition date:	2023-01-23
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine

X6Z

X6Z
Name:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Formula:	C7 H15 O9 P
SMILES:	CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2023-10-24
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

YRD

YRD
Name:	~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
Formula:	C12 H16 N2 O2 S2
SMILES:	CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O
InChi:	InChI=1S/C12H16N2O2S2/c1-3-4-5-6-9(15)13-10-11-8(7-17-18-11)14(2)12(10)16/h7H,3-6H2,1-2H3,(H,13,15)
Definition date:	2023-12-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide

YRH

YRH
Name:	~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
Formula:	C11 H14 N2 O2 S2
SMILES:	CCCCCC(=O)NC1=C2SSC=C2NC1=O
InChi:	InChI=1S/C11H14N2O2S2/c1-2-3-4-5-8(14)13-9-10-7(6-16-17-10)12-11(9)15/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
Definition date:	2023-12-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide

R60

R60
Name:	7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide
Formula:	C11 H10 F N O2
SMILES:	CN(C)C(=O)c1oc2c(F)cccc2c1
InChi:	InChI=1S/C11H10FNO2/c1-13(2)11(14)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,1-2H3
Definition date:	2023-08-30
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide

A1AUQ

A1AUQ
Name:	(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C23 H29 N7 O4 S2
SMILES:	O=S(=O)(c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)C1CCNCC1
InChi:	InChI=1S/C23H29N7O4S2/c24-36(33,34)22-20(35(31,32)18-9-13-26-14-10-18)6-5-19(21(22)23-27-29-30-28-23)17-3-1-15(2-4-17)16-7-11-25-12-8-16/h1-6,16,18,25-26H,7-14H2,(H2,24,33,34)(H,27,28,29,30)
Definition date:	2024-06-07
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

A1AUY

A1AUY
Name:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C16 H15 F2 N5
SMILES:	FC1(F)CCC(CC1)c1cnn2ccc(nc12)c1ncccn1
InChi:	InChI=1S/C16H15F2N5/c17-16(18)5-2-11(3-6-16)12-10-21-23-9-4-13(22-15(12)23)14-19-7-1-8-20-14/h1,4,7-11H,2-3,5-6H2
Definition date:	2024-06-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine

WKK

WKK
Name:	1-benzothiophen-3-ylboronic acid
Formula:	C8 H7 B O2 S
SMILES:	OB(O)c1csc2ccccc21
InChi:	InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
Definition date:	2023-10-06
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-benzothiophen-3-ylboronic acid

VI4

VI4
Name:	13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Formula:	C26 H24 N4 O3
SMILES:	C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47
InChi:	InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1
Definition date:	2023-07-22
Last modified:	2024-10-11
Release date:	2024-10-16

A1BBV

A1BBV
Name:	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
Formula:	C26 H23 N3 O3
SMILES:	N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC
InChi:	InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30)
Definition date:	2024-10-01
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide

A1BCF

A1BCF
Name:	1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide
Formula:	C12 H14 N4 O2 S
SMILES:	CN(Cc1nccs1)C(=O)C=1C=CC(=O)N(CC)N=1
InChi:	InChI=1S/C12H14N4O2S/c1-3-16-11(17)5-4-9(14-16)12(18)15(2)8-10-13-6-7-19-10/h4-7H,3,8H2,1-2H3
Definition date:	2024-10-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide

<72 73 74 75 76 77 787980 81 82 83 84 85 86 87 >

243083

数据于2025-10-15公开中

PDB statistics

PDBj update info

Contact PDBj

numon