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P7Q

P7Q
Name:	(3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Formula:	C20 H16 O6
SMILES:	COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O)c3C(=O)c12
InChi:	InChI=1S/C20H16O6/c1-20(25)7-9-6-11(21)16-17(14(9)12(22)8-20)18(23)10-4-3-5-13(26-2)15(10)19(16)24/h3-6,21,25H,7-8H2,1-2H3/t20-/m1/s1
Definition date:	2020-04-16
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	(3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

DY9

DY9
Name:	Fluostatin C
Formula:	C18 H12 O6
SMILES:	C[C]12O[CH]1[CH](O)c3c(cc(O)c4c5c(O)cccc5C(=O)c34)C2=O
InChi:	InChI=1S/C18H12O6/c1-18-16(23)7-5-9(20)12-10-6(3-2-4-8(10)19)14(21)13(12)11(7)15(22)17(18)24-18/h2-5,15,17,19-20,22H,1H3/t15-,17+,18-/m1/s1
Definition date:	2019-09-18
Last modified:	2020-09-11
Release date:	2020-09-16

Q25

Q25
Name:	6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formula:	C18 H20 Cl N3 O S
SMILES:	CCCCCCc1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
InChi:	InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3
Definition date:	2020-05-06
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Q3J

Q3J
Name:	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one
Formula:	C16 H20 B F2 N3 O
SMILES:	CCN(CC)c1ccc2C=C3C(=O)N(C)C(=[N+]3[B-](F)(F)c2c1)C
InChi:	InChI=1S/C16H20BF2N3O/c1-5-21(6-2)13-8-7-12-9-15-16(23)20(4)11(3)22(15)17(18,19)14(12)10-13/h7-10H,5-6H2,1-4H3
Definition date:	2019-09-13
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one

Q4E

Q4E
Name:	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
Formula:	C16 H16 Cl N3 O S
SMILES:	CC(C)(C)c1scc(CN2C=Nc3ccc(Cl)cc3C2=O)n1
InChi:	InChI=1S/C16H16ClN3OS/c1-16(2,3)15-19-11(8-22-15)7-20-9-18-13-5-4-10(17)6-12(13)14(20)21/h4-6,8-9H,7H2,1-3H3
Definition date:	2020-05-07
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one

Q4T

Q4T
Name:	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
Formula:	C26 H22 Cl F3 N2 O4
SMILES:	OC(=O)Cc1cc(F)ccc1NC(=O)c2cccc(c2F)c3cc(O[CH]4CCCNC4)c(Cl)cc3F
InChi:	InChI=1S/C26H22ClF3N2O4/c27-20-12-21(29)19(11-23(20)36-16-3-2-8-31-13-16)17-4-1-5-18(25(17)30)26(35)32-22-7-6-15(28)9-14(22)10-24(33)34/h1,4-7,9,11-12,16,31H,2-3,8,10,13H2,(H,32,35)(H,33,34)/t16-/m1/s1
Definition date:	2020-05-11
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid

Q4W

Q4W
Name:	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Formula:	C15 H16 Cl N3 O S
SMILES:	CC(C)[CH]1NC(=CS1)CN2C=Nc3ccc(Cl)cc3C2=O
InChi:	InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3/t14-/m0/s1
Definition date:	2020-05-12
Last modified:	2020-09-11
Release date:	2020-09-16
Identifier:	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

106

106
Name:	4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
Formula:	C14 H11 Br N4 O3 S
SMILES:	N1C(/C(c2cc(ccc12)Br)=NNc3ccc(cc3)S(=O)(=O)N)=O
InChi:	InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
Definition date:	2000-10-03
Last modified:	2020-09-09
Identifier:	4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide

GZ6

GZ6
Name:	Guanidinium
Formula:	C H6 N3
SMILES:	C(N)(N)=[NH2+]
InChi:	InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1
Definition date:	2020-07-29
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	diaminomethaniminium

OOH

OOH
Name:	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
Formula:	C15 H14 O7
SMILES:	CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O
InChi:	InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3
Definition date:	2020-03-25
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione

OWK

OWK
Name:	Metala-Carborane di-ethyl-sulfonamide
Formula:	C8 H15 B18 Co N2 O4 S2
SMILES:	C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247[B-]38[B]679B%10[B]189[Co]5%10%11%12B%13[C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14%18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)(=O)=O
InChi:	InChI=1S/2C4H8B9NO2S.Co/c1-4(2-3-17(14,15)16)9-6-12(9)8-5-7-10(4)11(9,12)13(7,8,10)12
Definition date:	2020-04-06
Last modified:	2020-09-04
Release date:	2020-09-09

NKV

NKV
Name:	N-(2-methylpropanoyl)adenosine
Formula:	C14 H19 N5 O5
SMILES:	C3(C(C(n2c1c(c(NC(C(C)C)=O)ncn1)nc2)OC3CO)O)O
InChi:	InChI=1S/C14H19N5O5/c1-6(2)13(23)18-11-8-12(16-4-15-11)19(5-17-8)14-10(22)9(21)7(3-20)24-14/h4-7,9-10,14,20-22H,3H2,1-2H3,(H,15,16,18,23)/t7-,9-,10-,14-/m1/s1
Definition date:	2019-05-17
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-(2-methylpropanoyl)adenosine

QTH

QTH
Name:	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine
Formula:	C22 H23 N2
SMILES:	C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4)cc2
InChi:	InChI=1S/C22H23N2/c1-2-6-20(7-3-1)21-10-8-19(9-11-21)18-23-16-12-22(13-17-23)24-14-4-5-15-24/h1-3,6-13,16-17H,4-5,14-15,18H2/q+1
Definition date:	2020-08-06
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridin-1-ium

QTK

QTK
Name:	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium
Formula:	C16 H19 N2
SMILES:	C1CCN(C1)c2cc[n+](Cc3ccccc3)cc2
InChi:	InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1
Definition date:	2020-08-07
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium

Q9D

Q9D
Name:	benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
Formula:	C18 H18 N2 O5
SMILES:	c1c(cc(cc1)CC(C(C)=O)NC(=O)OCc2ccccc2)[N+](=O)[O-]
InChi:	InChI=1S/C18H18N2O5/c1-13(21)17(11-15-8-5-9-16(10-15)20(23)24)19-18(22)25-12-14-6-3-2-4-7-14/h2-10,17H,11-12H2,1H3,(H,19,22)/t17-/m0/s1
Definition date:	2019-10-07
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate

MV5

MV5
Name:	(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
Formula:	C6 H13 N3 O2 S2
SMILES:	N[CH](CSSC[CH](N)C(N)=O)C=O
InChi:	InChI=1S/C6H13N3O2S2/c7-4(1-10)2-12-13-3-5(8)6(9)11/h1,4-5H,2-3,7-8H2,(H2,9,11)/t4-,5+/m1/s1
Definition date:	2019-10-24
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	(2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide

9RX

9RX
Name:	2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid
Formula:	C18 H14 N6 O3 S
SMILES:	OC(=O)c1ccccc1c2[nH]nc(SCC(=O)Nc3[nH]c4ccccc4n3)n2
InChi:	InChI=1S/C18H14N6O3S/c25-14(21-17-19-12-7-3-4-8-13(12)20-17)9-28-18-22-15(23-24-18)10-5-1-2-6-11(10)16(26)27/h1-8H,9H2,(H,26,27)(H,22,23,24)(H2,19,20,21,25)
Definition date:	2018-07-05
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	2-[3-[2-(1~{H}-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1~{H}-1,2,4-triazol-5-yl]benzoic acid

FWX

FWX
Name:	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
Formula:	C22 H29 N5 O2
SMILES:	CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc3ccc(cc3)C(C)C
InChi:	InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
Definition date:	2020-06-29
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidine-4-carboxamide

LJT

LJT
Name:	2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
Formula:	C23 H30 Cl N3 O3 S
SMILES:	COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC
InChi:	InChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3
Definition date:	2019-08-20
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

LK8

LK8
Name:	(2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide
Formula:	C25 H22 Cl2 F3 N3 O3
SMILES:	CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl
InChi:	InChI=1S/C25H22Cl2F3N3O3/c1-13-11-17(25(28,29)30)14-5-3-7-20(22(14)32-13)36-12-16-18(26)9-8-15(21(16)27)24(35)33-10-4-6-19(33)23(34)31-2/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3,(H,31,34)/t19-/m0/s1
Definition date:	2019-08-21
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	(2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide

LQ2

LQ2
Name:	4-aminocarbonylbenzoic acid
Formula:	C8 H7 N O3
SMILES:	NC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
Definition date:	2019-08-30
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	4-aminocarbonylbenzoic acid

LYE

LYE
Name:	bromophenol blue
Formula:	C19 H10 Br4 O5 S
SMILES:	Oc1c(Br)cc(cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3[S](O)(=O)=O
InChi:	InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28/h1-8,24H,(H,26,27,28)
Definition date:	2019-09-27
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	2-[[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methyl]benzenesulfonic acid

TZS

TZS
Name:	N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
Formula:	C16 H25 N5 O4 S
SMILES:	c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O
InChi:	InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23)
Definition date:	2020-04-03
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide

TZV

TZV
Name:	N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
Formula:	C16 H15 N3 O4 S
SMILES:	c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3
InChi:	InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21)
Definition date:	2020-04-03
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide

U23

U23
Name:	URIDINE-5'-MONOPHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:	C9 H12 N2 O11 P2
SMILES:	N1(C(=O)NC(=O)C=C1)C3C2C(OP(O2)(=O)O)C(O3)COP(=O)(O)O
InChi:	InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:	2020-07-31
Last modified:	2020-09-04
Release date:	2020-09-09
Identifier:	[(2S,3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate

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