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I9F

I9F
Name:	dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
Formula:	C26 H26 N2 O11 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC
InChi:	InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate

I9K

I9K
Name:	(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
Formula:	C24 H22 N2 O11 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)O)C(=O)O
InChi:	InChI=1S/C24H22N2O11S/c27-17-9-15-16(22(32)14-4-2-1-3-13(14)21(15)31)10-18(17)38(36,37)26-7-5-25(6-8-26)19(28)11-24(35,23(33)34)12-20(29)30/h1-4,9-10,27,35H,5-8,11-12H2,(H,29,30)(H,33,34)/t24-/m1/s1
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid

I9N

I9N
Name:	1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
Formula:	C18 H16 N2 O6 S
SMILES:	O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1
InChi:	InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione

I9Q

I9Q
Name:	N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine
Formula:	C17 H13 N O8 S
SMILES:	O=C(O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
InChi:	InChI=1S/C17H13NO8S/c19-12(20)5-6-18-27(25,26)11-7-10-13(17(24)16(11)23)15(22)9-4-2-1-3-8(9)14(10)21/h1-4,7,18,23-24H,5-6H2,(H,19,20)
Definition date:	2022-01-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine

GEU

GEU
Name:	3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
Formula:	C22 H19 Cl N4 O4
SMILES:	CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C
InChi:	InChI=1S/C22H19ClN4O4/c1-11-15(19(28)18-12(2)24-26(4)20(18)29)8-9-16-17(11)21(30)27(22(31)25(16)3)14-7-5-6-13(23)10-14/h5-10,24H,1-4H3
Definition date:	2020-08-26
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione

GJL

GJL
Name:	4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one
Formula:	C16 H17 N3 O5 S
SMILES:	CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O
InChi:	InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3
Definition date:	2020-08-31
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one

811

811
Name:	2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid
Formula:	C28 H22 Cl3 N3 O5
SMILES:	OC(=O)c1ccnc(c1)N2CC(O)(C2)c3ccc(OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6)cc3Cl
InChi:	InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
Synonyms:	Cilofexor
Definition date:	2021-11-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid

88E

88E
Name:	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
Formula:	C20 H23 N3 O2
SMILES:	Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3
InChi:	InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
Synonyms:	S1RA
Definition date:	2021-11-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine

9OW

9OW
Name:	3-selanyl-L-alaninamide
Formula:	C3 H8 N2 O Se
SMILES:	NC(=O)C(N)C[SeH]
InChi:	InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
Definition date:	2021-10-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-selanyl-L-alaninamide

9UV

9UV
Name:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Formula:	C27 H27 Cl N4 O6
SMILES:	N#CC=Cc1cc(cc(Cl)c1)Oc1ccc(OCCN2CCOCC2)cc1OCCN1C=CC(=O)NC1=O
InChi:	InChI=1S/C27H27ClN4O6/c28-21-16-20(2-1-6-29)17-23(18-21)38-24-4-3-22(36-14-10-31-8-12-35-13-9-31)19-25(24)37-15-11-32-7-5-26(33)30-27(32)34/h1-5,7,16-19H,8-15H2,(H,30,33,34)/b2-1+
Definition date:	2021-10-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

9W3

9W3
Name:	4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
Formula:	C28 H30 N8 O2
SMILES:	N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1
InChi:	InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+
Definition date:	2021-10-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile

9WI

9WI
Name:	(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
Formula:	C22 H17 N7
SMILES:	N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N
InChi:	InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28)
Definition date:	2021-10-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile

LF6

LF6
Name:	{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol
Formula:	C9 H15 N3 O S
SMILES:	CC1=NC(=NC2CCCC2CO)SN1
InChi:	InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol

LFO

LFO
Name:	N,1-dimethyl-1H-indole-3-carboxamide
Formula:	C11 H12 N2 O
SMILES:	CNC(=O)c1cn(C)c2ccccc21
InChi:	InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N,1-dimethyl-1H-indole-3-carboxamide

LGR

LGR
Name:	2-[acetyl(methyl)amino]benzoic acid
Formula:	C10 H11 N O3
SMILES:	CN(C(C)=O)c1ccccc1C(=O)O
InChi:	InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[acetyl(methyl)amino]benzoic acid

LHR

LHR
Name:	N-(1H-indazol-6-yl)acetamide
Formula:	C9 H9 N3 O
SMILES:	CC(=O)Nc1ccc2cn[NH]c2c1
InChi:	InChI=1S/C9H9N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h2-5H,1H3,(H,10,12)(H,11,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-(1H-indazol-6-yl)acetamide

LJ6

LJ6
Name:	(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide
Formula:	C11 H18 N2 O2
SMILES:	CC(Cc1c(C)onc1C)C(=O)N(C)C
InChi:	InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide

LJK

LJK
Name:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
Formula:	C10 H17 N3 O
SMILES:	O=C(NC(C)(C)CC)c1cc(C)n[NH]1
InChi:	InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide

LJR

LJR
Name:	1-cyclohexyl-N-methylmethanesulfonamide
Formula:	C8 H17 N O2 S
SMILES:	O=S(=O)(CC1CCCCC1)NC
InChi:	InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-cyclohexyl-N-methylmethanesulfonamide

LK6

LK6
Name:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
Formula:	C9 H15 N O3 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:	InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

LKL

LKL
Name:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
Formula:	C8 H10 Cl F N2 O
SMILES:	Fc1cc(Cl)cnc1N(C)CCO
InChi:	InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol

LKU

LKU
Name:	3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
Formula:	C14 H12 F N O2
SMILES:	Cc1ccc(NC(=O)c2cccc(F)c2)cc1O
InChi:	InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

LL0

LL0
Name:	2-(difluoromethoxy)benzene-1-sulfonamide
Formula:	C7 H7 F2 N O3 S
SMILES:	O=S(N)(=O)c1ccccc1OC(F)F
InChi:	InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)benzene-1-sulfonamide

LLU

LLU
Name:	(2S)-2-(2-fluorophenoxy)propanoic acid
Formula:	C9 H9 F O3
SMILES:	CC(Oc1ccccc1F)C(=O)O
InChi:	InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-2-(2-fluorophenoxy)propanoic acid

LM6

LM6
Name:	1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine
Formula:	C7 H13 N3
SMILES:	CCn1nccc1CNC
InChi:	InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine

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