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: 44145 results BIRD

HUJ

HUJ
Name:	[(1R)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
Formula:	C20 H31 B N5 O8
SMILES:	COc1ccc(C(=O)NCCn2cc(nn2)C(=O)N[CH](CC(C)C)[B](O)(O)O)c(OC)c1OC
InChi:	InChI=1S/C20H31BN5O8/c1-12(2)10-16(21(29,30)31)23-20(28)14-11-26(25-24-14)9-8-22-19(27)13-6-7-15(32-3)18(34-5)17(13)33-4/h6-7,11-12,16,29-31H,8-10H2,1-5H3,(H,22,27)(H,23,28)/t16-/m0/s1
Definition date:	2018-07-20
Last modified:	2024-09-27
Release date:	2019-09-11
Identifier:	[3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron

HUY

HUY
Name:	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
Formula:	C15 H12 F3 N O
SMILES:	CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O
InChi:	InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3
Definition date:	2018-07-23
Last modified:	2024-09-27
Release date:	2019-01-09
Identifier:	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one

2XG

2XG
Name:	3,4-difluorobenzenethiol
Formula:	C6 H4 F2 S
SMILES:	Fc1ccc(S)cc1F
InChi:	InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Definition date:	2014-04-04
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	3,4-difluorobenzenethiol

2XH

2XH
Name:	naphthalene-1-thiol
Formula:	C10 H8 S
SMILES:	Sc2cccc1ccccc12
InChi:	InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
Definition date:	2014-04-07
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	naphthalene-1-thiol

2XI

2XI
Name:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
Formula:	C24 H33 N3 O3
SMILES:	C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C
InChi:	InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide

2XO

2XO
Name:	1H-benzimidazol-2-ylmethanethiol
Formula:	C8 H8 N2 S
SMILES:	n2c1ccccc1nc2CS
InChi:	InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	1H-benzimidazol-2-ylmethanethiol

2XR

2XR
Name:	2-chloro-1-(1H-indol-3-yl)ethanone
Formula:	C10 H8 Cl N O
SMILES:	ClCC(=O)c2c1ccccc1nc2
InChi:	InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
Definition date:	2014-04-08
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	2-chloro-1-(1H-indol-3-yl)ethanone

HVA

HVA
Name:	3-hydroxy-L-valine
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(O)(C)C
InChi:	InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
Synonyms:	L-beta-hydroxyvaline
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	3-hydroxy-L-valine

HVP

HVP
Name:	2-(fluorosulfonyl)benzene-1-sulfonic acid
Formula:	C6 H5 F O5 S2
SMILES:	c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1
InChi:	InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12)
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-(fluorosulfonyl)benzene-1-sulfonic acid

2YD

2YD
Name:	(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one
Formula:	C29 H44 O6
SMILES:	O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C
InChi:	InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1
Synonyms:	Kendomycin
Definition date:	2014-05-01
Last modified:	2024-09-27
Release date:	2014-07-30
Identifier:	(5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one

HVV

HVV
Name:	(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one
Formula:	C12 H19 N O3
SMILES:	CC=CCC=[C@H]CCC1(NC(=O)CC1O)O
InChi:	InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)10(14)9-11(15)13-12/h2-3,5-6,10,14,16H,4,7-9H2,1H3,(H,13,15)/b3-2+,6-5+/t10-,12+/m0/s1
Synonyms:	cerulenin, bound form
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-31
Identifier:	(4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one

HVW

HVW
Name:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
Formula:	C24 H29 F3 N2 O3 S
SMILES:	CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C
InChi:	InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1
Definition date:	2018-12-21
Last modified:	2024-09-27
Release date:	2019-02-06
Identifier:	(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

HVY

HVY
Name:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
Formula:	C32 H35 Cl N8 O2
SMILES:	CN5CCN(c1ccc(cc1)Nc2nc(c(cn2)C(=O)Nc3c(cccc3C)Cl)Nc4c(cccc4)NC(=O)CC)CC5
InChi:	InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39)
Definition date:	2018-07-26
Last modified:	2024-09-27
Release date:	2019-07-31
Identifier:	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide

HVZ

HVZ
Name:	~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
Formula:	C14 H17 Cl N4 O3 S
SMILES:	CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O
InChi:	InChI=1S/C14H17ClN4O3S/c1-14(2,23(21)22)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,16,20)
Definition date:	2018-12-21
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide

2YI

2YI
Name:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
Formula:	C27 H32 Br N3 O5
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3)C(=O)OC
InChi:	InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
Definition date:	2021-06-23
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate

2YR

2YR
Name:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C11 H18 N3 O7 P S
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O
InChi:	InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
Definition date:	2014-04-28
Last modified:	2024-09-27
Release date:	2014-05-21
Identifier:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)

2YS

2YS
Name:	D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide
Formula:	C18 H37 Cl N4 O3
SMILES:	O=C(NC(CCCCN)C(O)CCl)C(NC(=O)C(N)C(C)C)CC(C)C
InChi:	InChI=1S/C18H37ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-16,24H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/t13-,14-,15+,16+/m0/s1
Synonyms:	D-VAL-LEU-LYS-chloromethylketone
Definition date:	2014-04-29
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide

2YT

2YT
Name:	L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Formula:	C25 H35 Cl N6 O3
SMILES:	ClCC(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N
InChi:	InChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1
Synonyms:	PHE-PHE-ARG-chloromethylketone
Definition date:	2014-04-29
Last modified:	2024-09-27
Release date:	2014-09-03
Identifier:	L-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide

HXD

HXD
Name:	(3R)-3-HYDROXYDODECANOIC ACID
Formula:	C12 H24 O3
SMILES:	O=C(O)CC(O)CCCCCCCCC
InChi:	InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
Synonyms:	3-OH-DODECANOATE
Definition date:	2006-01-31
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxydodecanoic acid

HY1

HY1
Name:	PHENYLACETALDEHYDE
Formula:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Definition date:	1999-08-26
Last modified:	2024-09-27
Identifier:	phenylacetaldehyde

HY3

HY3
Name:	3-HYDROXYPROLINE
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1NCCC1O
InChi:	InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
Synonyms:	(2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid
Definition date:	2006-03-22
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxy-L-proline

HY4

HY4
Name:	(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate
Formula:	C14 H31 O5 P
SMILES:	O=P(OCC(OCCCC)COCCCC)(O)CCC
InChi:	InChI=1S/C14H31O5P/c1-4-7-9-17-12-14(18-10-8-5-2)13-19-20(15,16)11-6-3/h14H,4-13H2,1-3H3,(H,15,16)/t14-/m1/s1
Definition date:	2014-04-16
Last modified:	2024-09-27
Release date:	2014-06-11
Identifier:	(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate

HYE

HYE
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O5
SMILES:	O=CC1(NC(=O)C(C1(O)C)CCO)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO5/c1-14(21)11(7-8-17)13(20)16-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,17,19,21H,2,4,6-8H2,1H3,(H,16,20)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2009-06-23
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde

HYP

HYP
Name:	4-HYDROXYPROLINE
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1NCC(O)C1
InChi:	InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
Synonyms:	HYDROXYPROLINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4R)-4-hydroxy-L-proline

HYR

HYR
Name:	N-(2-phenoxyethyl)methanethioamide
Formula:	C9 H11 N O S
SMILES:	S=CNCCOc1ccccc1
InChi:	InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12)
Definition date:	2021-02-24
Last modified:	2024-09-27
Release date:	2022-02-23
Identifier:	~{N}-(2-phenoxyethyl)methanethioamide

<167 168 169 170 171 172 173174175 176 177 178 179 180 181 182 >

226262

数据于2024-10-16公开中

PDB statistics

PDBj update info

Contact PDBj

numon