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M9B

M9B
Name:	1-alpha-hydroxy-vitamin D3
Formula:	C27 H44 O2
SMILES:	CC(C)CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
Definition date:	2019-10-08
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methylheptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

MHK

MHK
Name:	naphthalene-1-sulfonamide
Formula:	C10 H9 N O2 S
SMILES:	N[S](=O)(=O)c1cccc2ccccc12
InChi:	InChI=1S/C10H9NO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
Definition date:	2019-10-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	naphthalene-1-sulfonamide

MJ2

MJ2
Name:	3,5-dimethylbenzenesulfonamide
Formula:	C8 H11 N O2 S
SMILES:	Cc1cc(C)cc(c1)[S](N)(=O)=O
InChi:	InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
Definition date:	2019-10-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-dimethylbenzenesulfonamide

MJB

MJB
Name:	2-piperazin-1-ylethanol
Formula:	C6 H14 N2 O
SMILES:	OCCN1CCNCC1
InChi:	InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
Definition date:	2019-10-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-piperazin-1-ylethanol

MJT

MJT
Name:	anthracene-9-sulfonamide
Formula:	C14 H11 N O2 S
SMILES:	N[S](=O)(=O)c1c2ccccc2cc3ccccc13
InChi:	InChI=1S/C14H11NO2S/c15-18(16,17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,15,16,17)
Definition date:	2019-10-16
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	anthracene-9-sulfonamide

MKQ

MKQ
Name:	3,5-diphenylbenzenesulfonamide
Formula:	C18 H15 N O2 S
SMILES:	N[S](=O)(=O)c1cc(cc(c1)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C18H15NO2S/c19-22(20,21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H,(H2,19,20,21)
Definition date:	2019-10-17
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3,5-diphenylbenzenesulfonamide

MUE

MUE
Name:	naphthalene-2-sulfonamide
Formula:	C10 H9 N O2 S
SMILES:	N[S](=O)(=O)c1ccc2ccccc2c1
InChi:	InChI=1S/C10H9NO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,11,12,13)
Definition date:	2019-10-24
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	naphthalene-2-sulfonamide

N2K

N2K
Name:	~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
Formula:	C14 H21 F3 N2 O2 S
SMILES:	CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F
InChi:	InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
Definition date:	2019-11-08
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N8Z

N8Z
Name:	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
Formula:	C9 H12 Cl N5 S
SMILES:	CCn1c(S)nnc1c2nn(C)c(C)c2Cl
InChi:	InChI=1S/C9H12ClN5S/c1-4-15-8(11-12-9(15)16)7-6(10)5(2)14(3)13-7/h4H2,1-3H3,(H,12,16)
Definition date:	2019-11-15
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol

7GD

7GD
Name:	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Formula:	C12 H11 N5
SMILES:	c1c(cccc1)Cc2cc(nc3c2nnn3)N
InChi:	InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
Definition date:	2016-10-19
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

NL8

NL8
Name:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
Formula:	C15 H14 N2 O4
SMILES:	CN(C(=O)c1ccc(O)cc1O)c2ccc(cc2)C(N)=O
InChi:	InChI=1S/C15H14N2O4/c1-17(10-4-2-9(3-5-10)14(16)20)15(21)12-7-6-11(18)8-13(12)19/h2-8,18-19H,1H3,(H2,16,20)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide

NLZ

NLZ
Name:	2,4-bis(oxidanyl)benzamide
Formula:	C7 H7 N O3
SMILES:	NC(=O)c1ccc(O)cc1O
InChi:	InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2,4-bis(oxidanyl)benzamide

NMW

NMW
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8

NN8
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

OHZ

OHZ
Name:	1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Formula:	C16 H14 Cl F3 N2 O3
SMILES:	OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c2
InChi:	InChI=1S/C16H14ClF3N2O3/c17-11-7-12(9-13(8-11)25-16(18,19)20)21-15(24)22-14-4-2-1-3-10(14)5-6-23/h1-4,7-9,23H,5-6H2,(H2,21,22,24)
Synonyms:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
Definition date:	2020-03-13
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea

Q9M

Q9M
Name:	2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C23 H21 N7 O3 S2
SMILES:	C3(CN(c2sc(NC(Cc1ccccc1)=O)nn2)C3)Oc5nnc(NC(=O)Cc4ccccc4)s5
InChi:	InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32)
Definition date:	2019-10-08
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide

QA4

QA4
Name:	2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:	C19 H25 N7 O3 S2
SMILES:	N(C(CC1CC1)=O)c5nnc(OC4CCN(c2sc(nn2)NC(CC3CC3)=O)CC4)s5
InChi:	InChI=1S/C19H25N7O3S2/c27-14(9-11-1-2-11)20-16-22-24-18(30-16)26-7-5-13(6-8-26)29-19-25-23-17(31-19)21-15(28)10-12-3-4-12/h11-13H,1-10H2,(H,20,22,27)(H,21,23,28)
Definition date:	2019-10-09
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide

QAA

QAA
Name:	2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide
Formula:	C29 H29 N7 O3
SMILES:	c1cc(nnc1NC(Cc2ccccc2)=O)OC5CCN(c3nnc(cc3)NC(=O)Cc4ccccc4)CC5
InChi:	InChI=1S/C29H29N7O3/c37-27(19-21-7-3-1-4-8-21)30-24-11-13-26(34-32-24)36-17-15-23(16-18-36)39-29-14-12-25(33-35-29)31-28(38)20-22-9-5-2-6-10-22/h1-14,23H,15-20H2,(H,30,32,37)(H,31,33,38)
Definition date:	2019-10-09
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide

QAJ

QAJ
Name:	2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide
Formula:	C23 H24 N10 O2 S2
SMILES:	N1(CCC(CC1)Nc3nnc(NC(Cc2cccnc2)=O)s3)c4sc(nn4)NC(=O)Cc5cccnc5
InChi:	InChI=1S/C23H24N10O2S2/c34-18(11-15-3-1-7-24-13-15)27-21-30-29-20(36-21)26-17-5-9-33(10-6-17)23-32-31-22(37-23)28-19(35)12-16-4-2-8-25-14-16/h1-4,7-8,13-14,17H,5-6,9-12H2,(H,26,29)(H,27,30,34)(H,28,31,35)
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide

QAM

QAM
Name:	N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
Formula:	C17 H19 N7 O2 S2
SMILES:	N(c3sc(OC1CCN(CC1)c2sc(N)nn2)nn3)C(Cc4ccccc4)=O
InChi:	InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25)
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

E4L

E4L
Name:	ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Formula:	C18 H26 O5
SMILES:	CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
InChi:	InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
Synonyms:	ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
Definition date:	2019-10-10
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate

ED3

ED3
Name:	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
Formula:	C22 H19 Cl N4 O4
SMILES:	Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl
InChi:	InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3
Definition date:	2019-12-11
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione

F56

F56
Name:	3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one
Formula:	C15 H21 N O3
SMILES:	CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O
InChi:	InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1
Definition date:	2020-03-31
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one

F5F

F5F
Name:	3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one
Formula:	C15 H21 N O2
SMILES:	C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O
InChi:	InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1
Definition date:	2020-03-31
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-[(1~{R},2~{S},4~{R},6~{S})-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1~{H}-pyridin-2-one

FKR

FKR
Name:	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid
Formula:	C18 H14 F N3 O4
SMILES:	CNc1cc(F)cc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12
InChi:	InChI=1S/C18H14FN3O4/c1-20-14-8-11(19)6-10-7-13(17(24)22-15(10)14)16(23)21-12-4-2-9(3-5-12)18(25)26/h2-8,20H,1H3,(H,21,23)(H,22,24)(H,25,26)
Definition date:	2020-05-29
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid

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