Chemie Search results for query - Protein Data Bank Japan

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: 35455 results BIRD

QR2

QR2
Name:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one
Formula:	C9 H4 Cl F3 N2 O2
SMILES:	FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2
InChi:	InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
Definition date:	2020-07-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one

Q6K

Q6K
Name:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Formula:	C28 H35 N7 O2
SMILES:	CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
InChi:	InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)
Definition date:	2020-05-25
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

RFT

RFT
Name:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Formula:	C15 H24 N2 O3 S3
SMILES:	C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:	InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
Definition date:	2020-05-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate

RH8

RH8
Name:	~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C21 H21 F N8
SMILES:	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F
InChi:	InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27)
Definition date:	2020-09-29
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

N47

N47
Name:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
Formula:	C20 H29 N5 O2
SMILES:	N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:	InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
Definition date:	2019-05-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

K7M

K7M
Name:	(2R)-N-hydroxy-1-phenylpropan-2-amine
Formula:	C9 H13 N O
SMILES:	c1ccccc1CC(C)NO
InChi:	InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
Synonyms:	N-(1-phenylpropan-2-yl)hydroxylamine
Definition date:	2018-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-N-hydroxy-1-phenylpropan-2-amine

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

RUZ

RUZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
Formula:	C16 H23 N5 O9 S
SMILES:	N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1
Synonyms:	SerS7HMDDA
Definition date:	2020-10-21
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate

C5F

C5F
Name:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
Formula:	C13 H14 Cl2 O3
SMILES:	C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C
InChi:	InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid

UA7

UA7
Name:	Brodifacoum
Formula:	C31 H23 Br O3
SMILES:	C4C(c2ccc(c1ccc(cc1)Br)cc2)Cc3ccccc3C4C=5C(Oc6c(C=5O)cccc6)=O
InChi:	InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2/t23-,27-/m1/s1
Synonyms:	3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-[(1R,3S)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one

UAJ

UAJ
Name:	Chlorophacinone
Formula:	C23 H15 Cl O3
SMILES:	c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1
Synonyms:	2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione

UAV

UAV
Name:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
Formula:	C31 H48 O3
SMILES:	c12c(cccc1)C(=O)C(C[C@H]=C(CCCC(CCCC(CCCC(C)C)C)C)C)(C(C2=O)C)O
InChi:	InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23?,24-,26-,31+/m0/s1
Definition date:	2020-05-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione

CD0

CD0
Name:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
Formula:	C21 H32 O2
SMILES:	c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O
InChi:	InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1
Definition date:	2018-05-09
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol

VZM

VZM
Name:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
Formula:	C11 H11 N3 O2 S
SMILES:	N(c1cccs1)C(=O)Nc2cnc(cc2)OC
InChi:	InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea

VZS

VZS
Name:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
Formula:	C11 H13 N5 O2
SMILES:	N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
InChi:	InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea

W0M

W0M
Name:	(2R)-2-(4-chlorophenoxy)propanamide
Formula:	C9 H10 Cl N O2
SMILES:	c1cc(ccc1Cl)OC(C(=O)N)C
InChi:	InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-2-(4-chlorophenoxy)propanamide

T4T

T4T
Name:	2-tetradecylsulfanylethanoic acid
Formula:	C16 H32 O2 S
SMILES:	CCCCCCCCCCCCCCSCC(O)=O
InChi:	InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
Definition date:	2018-07-10
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-tetradecylsulfanylethanoic acid

E0O

E0O
Name:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Formula:	C10 H11 Cl O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Definition date:	2019-09-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid

EA6

EA6
Name:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C14 H19 Cl F N5 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:	InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
Definition date:	2019-11-28
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

WGM

WGM
Name:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
Formula:	C11 H15 F N2 O
SMILES:	n1cccc(c1N2CC(O)C(C)(C2)C)F
InChi:	InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

WGP

WGP
Name:	N,N-dimethyl-N~2~-phenylglycinamide
Formula:	C10 H14 N2 O
SMILES:	N(CC(N(C)C)=O)c1ccccc1
InChi:	InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N,N-dimethyl-N~2~-phenylglycinamide

WGS

WGS
Name:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
Formula:	C11 H15 F N2 O
SMILES:	N(c1c(F)cccn1)CC2CCOCC2
InChi:	InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine

WGV

WGV
Name:	1-(3-phenylprop-2-yn-1-yl)piperidine
Formula:	C14 H17 N
SMILES:	c1ccccc1C#CCN2CCCCC2
InChi:	InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(3-phenylprop-2-yn-1-yl)piperidine

WGY

WGY
Name:	N-(4-sulfamoylphenyl)propanamide
Formula:	C9 H12 N2 O3 S
SMILES:	NS(c1ccc(cc1)NC(=O)CC)(=O)=O
InChi:	InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(4-sulfamoylphenyl)propanamide

WH1

WH1
Name:	N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
Formula:	C15 H16 N2 O
SMILES:	n1c(cccc1)CCN(C(=O)c2ccccc2)C
InChi:	InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide

<519 520 521 522 523 524 525526527 528 529 530 531 532 533 534 >

224572

PDB entries from 2024-09-04

PDB statistics

PDBj update info

Contact PDBj

numon