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: 43859 results BIRD

PXD

PXD
Name:	2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
Formula:	C16 H14 F5 N5 O5 S
SMILES:	FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2
InChi:	InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
Synonyms:	Penoxsulam
Definition date:	2014-06-05
Last modified:	2020-06-17
Release date:	2018-02-14
Identifier:	2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

PXE

PXE
Name:	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
Formula:	C10 H13 N O2
SMILES:	O=C1C=C(C(=NO)C=C1C(C)C)C
InChi:	InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+
Synonyms:	(E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone
Definition date:	2010-04-12
Last modified:	2020-06-17
Identifier:	(4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one

PXM

PXM
Name:	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL
Formula:	C8 H12 N2 O2
SMILES:	Oc1c(c(cnc1C)CO)CN
InChi:	InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
Synonyms:	PYRIDOXAMINE
Definition date:	2003-11-13
Last modified:	2020-06-17
Identifier:	4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

PXN

PXN
Name:	(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
Formula:	C17 H36 O8
SMILES:	O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
InChi:	InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1
Synonyms:	PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
Definition date:	2010-04-21
Last modified:	2020-06-17
Identifier:	(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol

4TZ

4TZ
Name:	4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE
Formula:	C16 H14 N6 O3 S
SMILES:	O=S(=O)(Oc1ccc(cc1)CN(n2cnnc2)c3ccc(C#N)cc3)N
InChi:	InChI=1S/C16H14N6O3S/c17-9-13-1-5-15(6-2-13)22(21-11-19-20-12-21)10-14-3-7-16(8-4-14)25-26(18,23)24/h1-8,11-12H,10H2,(H2,18,23,24)
Synonyms:	4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE
Definition date:	2005-02-01
Last modified:	2020-06-17
Identifier:	4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate

4U3

4U3
Name:	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
Formula:	C9 H13 Cl N3 O7 P
SMILES:	C1(N=C(N)C(Cl)=CN1C2OC(COP(=O)(O)O)C(O)C2)=O
InChi:	InChI=1S/C9H13ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Synonyms:	5-Chloro-5'-deoxycytidine
Definition date:	2015-05-27
Last modified:	2020-06-17
Release date:	2015-08-19
Identifier:	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)

PY5

PY5
Name:	2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID
Formula:	C13 H21 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC
InChi:	InChI=1S/C13H21N2O7P/c1-3-4-11(13(17)18)15-6-10-9(7-22-23(19,20)21)5-14-8(2)12(10)16/h5,11,15-16H,3-4,6-7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m0/s1
Synonyms:	VITAMIN B6 COMPLEXED WITH 2-AMINO-PENTANOIC ACID
Definition date:	1999-08-18
Last modified:	2020-06-17
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norvaline

PY6

PY6
Name:	2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXANOIC ACID
Formula:	C14 H23 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC
InChi:	InChI=1S/C14H23N2O7P/c1-3-4-5-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6,12,16-17H,3-5,7-8H2,1-2H3,(H,18,19)(H2,20,21,22)/t12-/m0/s1
Synonyms:	VITAMIN B6 COMPLEXED WITH 2-AMINO-HEXANOIC ACID
Definition date:	1999-08-18
Last modified:	2020-06-17
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-norleucine

PY7

PY7
Name:	PYRIDIN-4-YLMETHANOL
Formula:	C6 H7 N O
SMILES:	OCc1ccncc1
InChi:	InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
Synonyms:	4-PYRIDYLCARBINOL
Definition date:	2005-11-08
Last modified:	2020-06-17
Identifier:	pyridin-4-ylmethanol

PYF

PYF
Name:	3-PYRIDINYLCARBINOL
Formula:	C6 H7 N O
SMILES:	OCc1cccnc1
InChi:	InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
Synonyms:	PYRIDIN-3-YLMETHANOL
Definition date:	2003-09-29
Last modified:	2020-06-17
Identifier:	pyridin-3-ylmethanol

4UO

4UO
Name:	2,3-dihydroxanthosine
Formula:	C10 H12 N4 O6
SMILES:	O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O
InChi:	InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
Synonyms:	Xanthosine
Definition date:	2015-06-01
Last modified:	2020-06-17
Release date:	2015-07-01
Identifier:	2,3-dihydroxanthosine

PYV

PYV
Name:	4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Formula:	C16 H13 Br N2 O2 S
SMILES:	Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3
InChi:	InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
Synonyms:	Pyrabactin
Definition date:	2010-06-09
Last modified:	2020-06-17
Identifier:	4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

4V6

4V6
Name:	(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
Formula:	C10 H13 Cl N2 O2 S
SMILES:	c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O
InChi:	InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1
Synonyms:	BPAM-321
Definition date:	2015-06-04
Last modified:	2020-06-17
Release date:	2016-02-17
Identifier:	(3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

PZH

PZH
Name:	1-(4-BROMOPHENYL)METHANAMINE
Formula:	C7 H8 Br N
SMILES:	Brc1ccc(cc1)CN
InChi:	InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Synonyms:	4-BROMOBENZYLAMINE
Definition date:	2006-07-21
Last modified:	2020-06-17
Release date:	2014-03-19
Identifier:	1-(4-bromophenyl)methanamine

4VO

4VO
Name:	(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
Formula:	C28 H32 N2 O2
SMILES:	C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC
InChi:	InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23+,24+,25+,26-,27+,28+/m1/s1
Synonyms:	BU72
Definition date:	2015-06-06
Last modified:	2020-06-17
Release date:	2015-08-05
Identifier:	(2S,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol

4WW

4WW
Name:	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+)
Formula:	C8 H6 Fe2 N2 O3 S2
SMILES:	O=C1[Fe]\|2(S\|3CCCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
InChi:	InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5
Synonyms:	propane-dithiolato-bridged [2Fe2S] cluster
Definition date:	2015-06-15
Last modified:	2020-06-17
Release date:	2015-11-11

4WX

4WX
Name:	bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappaS:2kappaS)diiron(2+)
Formula:	C7 H4 Fe2 N2 O3 S3
SMILES:	O=C1[Fe]\|2(S\|3CSCS\|2[Fe]1\|3(C#N)C#[O+])(C#N)C#[O+]
InChi:	InChI=1S/C2H4S3.2CN.3CO.2Fe/c3-1-5-2-4
Synonyms:	sulfuro-dimethyl-dithiolato-bridged [2Fe2S] cluster
Definition date:	2015-06-15
Last modified:	2020-06-17
Release date:	2015-11-11

4XW

4XW
Name:	(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
Formula:	C20 H36 O2
SMILES:	C1(C=CCC(C1CCC(CCCC(C)CC(=O)O)C)C)(C)C
InChi:	InChI=1S/C20H36O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h7,13,15-18H,6,8-12,14H2,1-5H3,(H,21,22)/t15-,16-,17+,18+/m1/s1
Synonyms:	9-cis-13,14-dihydroretinoic acid
Definition date:	2015-06-18
Last modified:	2020-06-17
Release date:	2016-03-30
Identifier:	(5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid

4YP

4YP
Name:	2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Formula:	C18 H25 N O3
SMILES:	CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C
InChi:	InChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+
Synonyms:	rhodoquinone-2
Definition date:	2015-06-26
Last modified:	2020-06-17
Release date:	2015-08-05
Identifier:	2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione

4Z5

4Z5
Name:	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
Formula:	C23 H29 F N6 O
SMILES:	O=C(Nc1cc(c(cc1F)C)c2c(nc3c(c2)cnc(n3)NC)C)NCCC(C)(C)C
InChi:	InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
Synonyms:	LY3009120
Definition date:	2015-06-29
Last modified:	2020-06-17
Release date:	2015-07-15
Identifier:	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea

IBA

IBA
Name:	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
Formula:	C18 H27 N3 O4
SMILES:	O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CN)CO)NC(CC)CC
InChi:	InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1
Synonyms:	1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE
Definition date:	2003-07-31
Last modified:	2020-06-17
Identifier:	4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid

IBC

IBC
Name:	3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE
Formula:	C11 H14 N2 O4
SMILES:	O=C(O)C(N)CC2=CCCCc1onc(O)c12
InChi:	InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
Synonyms:	2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID
Definition date:	2004-12-16
Last modified:	2020-06-17
Identifier:	3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine

IBN

IBN
Name:	2-METHYLPROPAN-1-AMINE
Formula:	C4 H11 N
SMILES:	NCC(C)C
InChi:	InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
Synonyms:	ISOBUTYRONITRILE
Definition date:	2007-06-26
Last modified:	2020-06-17
Identifier:	2-methylpropan-1-amine

IBP

IBP
Name:	IBUPROFEN
Formula:	C13 H18 O2
SMILES:	O=C(O)C(c1ccc(cc1)CC(C)C)C
InChi:	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
Synonyms:	2-(4-ISOBUTYLPHENYL)PROPIONIC ACID
Definition date:	2000-04-10
Last modified:	2020-06-17
Identifier:	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid

IC1

IC1
Name:	3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE
Formula:	C18 H17 N O4
SMILES:	O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC
InChi:	InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
Synonyms:	IC261
Definition date:	2000-02-25
Last modified:	2020-06-17
Identifier:	(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one

<860 861 862 863 864 865 866867868 869 870 871 872 873 874 875 >

238268

数据于2025-07-02公开中

PDB statistics

PDBj update info

Contact PDBj

numon