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UGC

UGC
Name:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid
Formula:	C3 H6 N2 O4
SMILES:	O=C(O)C(O)NC(=O)N
InChi:	InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
Synonyms:	(S)-Ureidoglycolate
Definition date:	2014-04-09
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid

DRE

DRE
Name:	N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE
Formula:	C12 H29 N3
SMILES:	NCCCCCCNCCCCCCN
InChi:	InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
Synonyms:	BIS(HEXAMETHYLENE)TRIAMINE
Definition date:	2005-04-18
Last modified:	2021-03-01
Identifier:	N-(6-aminohexyl)hexane-1,6-diamine

DRF

DRF
Name:	(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
Formula:	C25 H25 N O5
SMILES:	O=C(O)C(OCC)Cc4ccc(OCCN1c3c(Oc2c1cccc2)cccc3)cc4
InChi:	InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Synonyms:	RAGAGLITAZAR
Definition date:	2003-02-25
Last modified:	2021-03-01
Identifier:	(2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid

YIN

YIN
Name:	(6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C24 H16 Br2 N4 O
SMILES:	Brc1ccc(cc1)C2N6N=CNC6=NC4=C2C(Oc3ccccc34)c5ccc(Br)cc5
InChi:	InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,22-23H,(H,27,28,29)/t22-,23+/m0/s1
Synonyms:	chromenotriazolopyrimidine 1
Definition date:	2009-09-25
Last modified:	2021-03-01
Identifier:	(6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

696

696
Name:	3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE
Formula:	C21 H17 N3 O
SMILES:	[O-]c4c(c1ccccc1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N
InChi:	InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
Synonyms:	CRA_8696
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	3-{5-[amino(iminio)methyl]-1H-indol-2-yl}biphenyl-2-olate

YIX

YIX
Name:	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
Formula:	C19 H23 N5 O S
SMILES:	O=C(NCC)NCc3ccccc3Sc1cn2c(nnc2cc1)C(C)C
InChi:	InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)
Synonyms:	CE-159167
Definition date:	2011-05-17
Last modified:	2021-03-01
Identifier:	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea

DRY

DRY
Name:	[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID
Formula:	C33 H31 N O5
SMILES:	O=C(c1ccccc1)c5cc4ccc(OCCCn3c2ccc(OCC(=O)O)cc2cc3)c(c4cc5)CCC
InChi:	InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36)
Synonyms:	{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-5-YLOXY}-ACETIC ACID
Definition date:	2006-08-09
Last modified:	2021-03-01
Identifier:	{[1-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propyl)-1H-indol-5-yl]oxy}acetic acid

DSF

DSF
Name:	(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Formula:	C3 H2 F6 O
SMILES:	difluoromethyl (1S)-1,2,2,2-tetrafluoroethyl ether
InChi:	InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
Synonyms:	DESFLURANE
Definition date:	2010-10-25
Last modified:	2021-03-01
Identifier:	(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

6AC

6AC
Name:	prop-2-enenitrile
Formula:	C3 H3 N
SMILES:	N#CC=C
InChi:	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
Synonyms:	Acrylonitrile
Definition date:	2013-07-16
Last modified:	2021-03-01
Release date:	2013-07-24
Identifier:	prop-2-enenitrile

6AD

6AD
Name:	2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
Formula:	C11 H17 N5 O10 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O
InChi:	InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Synonyms:	2-methylthio-adenosine-5'-diphosphate
Definition date:	2014-03-31
Last modified:	2021-03-01
Release date:	2014-04-30
Identifier:	2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)

6AM

6AM
Name:	4,6-diamino-1,3,5-triazin-2-ol
Formula:	C3 H5 N5 O
SMILES:	Oc1nc(nc(n1)N)N
InChi:	InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
Synonyms:	Ammeline
Definition date:	2013-07-22
Last modified:	2021-03-01
Release date:	2014-01-22
Identifier:	4,6-diamino-1,3,5-triazin-2-ol

DTB

DTB
Name:	6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID
Formula:	C10 H18 N2 O3
SMILES:	C1(=O)NC(C(N1)C)CCCCCC(=O)O
InChi:	InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
Synonyms:	D-DESTHIOBIOTIN
Definition date:	1999-08-17
Last modified:	2021-03-01
Identifier:	6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid

6AT

6AT
Name:	2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
Formula:	C11 H18 N5 O13 P3 S
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(nc(SC)nc12)N)C(O)C3O
InChi:	InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
Synonyms:	2-methylthio-adenosine-5'-triphosphate
Definition date:	2014-04-01
Last modified:	2021-03-01
Release date:	2014-04-30
Identifier:	2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)

DUO

DUO
Name:	4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
Formula:	C26 H27 N3 O8
SMILES:	O=C(N3c2cc(O)c1c(C(=O)C(C(=O)OC)(N1)C)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5
InChi:	InChI=1S/C26H27N3O8/c1-11-10-29(14-9-15(30)20-18(17(11)14)23(31)26(2,28-20)25(33)37-6)24(32)13-7-12-8-16(34-3)21(35-4)22(36-5)19(12)27-13/h7-9,11,27-28,30H,10H2,1-6H3/t11-,26-/m1/s1
Synonyms:	DUOCARMYCIN A
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate

DV1

DV1
Name:	(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol
Formula:	C10 H16 N2 O4 S
SMILES:	OC[CH]1O[CH]2SC(=N[CH]2[CH](O)[CH]1O)NCC=C
InChi:	InChI=1S/C10H16N2O4S/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h2,5-9,13-15H,1,3-4H2,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
Synonyms:	Propyleneaminothiazoline
Definition date:	2015-10-21
Last modified:	2021-03-01
Release date:	2016-08-31
Identifier:	(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

HID

HID
Name:	(5-hydroxy-1H-indol-3-yl)acetic acid
Formula:	C10 H9 N O3
SMILES:	OC(=O)Cc1c[nH]c2ccc(O)cc12
InChi:	InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
Synonyms:	5-hydroxy-indole acetate
Definition date:	2010-02-08
Last modified:	2021-03-01
Identifier:	2-(5-hydroxy-1H-indol-3-yl)ethanoic acid

6EU

6EU
Name:	resiniferatoxin
Formula:	C37 H40 O9
SMILES:	COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)C(=C)C)O
InChi:	InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
Synonyms:	RTX
Definition date:	2016-03-23
Last modified:	2021-03-01
Release date:	2016-05-25
Identifier:	[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxy-3-methoxyphenyl)acetate

6F0

6F0
Name:	2-azanyl-6-fluoranyl-benzoic acid
Formula:	C7 H6 F N O2
SMILES:	O=C(O)c1c(F)cccc1N
InChi:	InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
Synonyms:	6-fluoroanthranilate
Definition date:	2014-02-06
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	2-amino-6-fluorobenzoic acid

HJ1

HJ1
Name:	N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Formula:	C11 H16 N2 O3
SMILES:	C(N)CC(NCCc1cc(c(cc1)O)O)=O
InChi:	InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16)
Synonyms:	beta-alanyl-dopamine
Definition date:	2018-07-03
Last modified:	2021-03-01
Release date:	2019-01-30
Identifier:	N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide

6FE

6FE
Name:	4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline
Formula:	C24 H28 N2 O
SMILES:	COc1ccc(cc1)[C](=[C]2C=C[CH](C=C2)N(C)C)c3ccc(cc3)N(C)C
InChi:	InChI=1S/C24H28N2O/c1-25(2)21-12-6-18(7-13-21)24(20-10-16-23(27-5)17-11-20)19-8-14-22(15-9-19)26(3)4/h6-17,21H,1-5H3/b24-18-/t21-/m0/s1
Synonyms:	MALACHITE GREEN DERIVATIVE MG-2P
Definition date:	2015-07-27
Last modified:	2021-03-01
Release date:	2016-02-03
Identifier:	4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline

6GO

6GO
Name:	6-O-methylguanine
Formula:	C6 H7 N5 O
SMILES:	n1c(OC)c2c(nc1N)ncn2
InChi:	InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
Synonyms:	6-methoxy-7H-purin-2-amine
Definition date:	2008-12-30
Last modified:	2021-03-01
Identifier:	6-methoxy-7H-purin-2-amine

6GU

6GU
Name:	6-chloroguanine
Formula:	C5 H4 Cl N5
SMILES:	Clc2nc(nc1c2ncn1)N
InChi:	InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
Synonyms:	6-chloro-9H-purin-2-amine
Definition date:	2008-08-26
Last modified:	2021-03-01
Identifier:	6-chloro-9H-purin-2-amine

6GY

6GY
Name:	5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
Formula:	C29 H39 Cl N7 O2 P
SMILES:	c1(cnc(nc1Nc2c(P(C)(=O)C)cccc2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
InChi:	InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
Synonyms:	Brigatinib
Definition date:	2016-04-07
Last modified:	2021-03-01
Release date:	2016-05-25
Identifier:	5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine

HL0

HL0
Name:	N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Formula:	C14 H25 N O3
SMILES:	O=C1OCCC1NC(=O)CCCCCCCCC
InChi:	InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
Synonyms:	N-decanoyl-L-homoserine lactone
Definition date:	2011-02-15
Last modified:	2021-03-01
Identifier:	N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide

6HS

6HS
Name:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
Formula:	C19 H36 N4 O8
SMILES:	O(C2C(O)C(OC1OC(=CCC1N)CO)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:	InChI=1S/C19H36N4O8/c1-19(27)7-28-18(13(26)16(19)23-2)31-15-11(22)5-10(21)14(12(15)25)30-17-9(20)4-3-8(6-24)29-17/h3,9-18,23-27H,4-7,20-22H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:	6'-hydroxysisomicin
Definition date:	2012-09-03
Last modified:	2021-03-01
Release date:	2013-04-03
Identifier:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside

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