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QLH

QLH
Name:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
Formula:	C16 H15 F3 N4
SMILES:	N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F
InChi:	InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
Definition date:	2020-06-29
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile

2JP

2JP
Name:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
Formula:	C13 H12 N2 O3
SMILES:	O=C(O)CCC(=O)Nc2ncc1ccccc1c2
InChi:	InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
Definition date:	2013-11-06
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid

F4F

F4F
Name:	(5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
Formula:	C15 H22 O5
SMILES:	CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O
InChi:	InChI=1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1
Definition date:	2020-03-23
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid

FL0

FL0
Name:	2-bromanyl-1-phenyl-ethanone
Formula:	C8 H7 Br O
SMILES:	BrCC(=O)c1ccccc1
InChi:	InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
Definition date:	2020-06-01
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	2-bromanyl-1-phenyl-ethanone

FL3

FL3
Name:	1-naphthalen-2-ylethanone
Formula:	C12 H10 O
SMILES:	CC(=O)c1ccc2ccccc2c1
InChi:	InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
Definition date:	2020-06-01
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	1-naphthalen-2-ylethanone

FWO

FWO
Name:	(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
Formula:	C10 H18 N2 O5
SMILES:	CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
Definition date:	2020-06-25
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	(2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

QNW

QNW
Name:	3-methylcatechol cysteine
Formula:	C10 H13 N O4 S
SMILES:	Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

WZD

WZD
Name:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine
Formula:	C12 H11 N3 O
SMILES:	c1cccc2c1nc(n2)NCc3ccco3
InChi:	InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15)
Definition date:	2020-11-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine

QO2

QO2
Name:	4,5-dimethylcatechol cysteine
Formula:	C11 H15 N O4 S
SMILES:	Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C
InChi:	InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO5

QO5
Name:	3,5-dimethylcatechol cysteine
Formula:	C11 H15 N O4 S
SMILES:	Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O
InChi:	InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

QO8

QO8
Name:	3,4-dimethylcatechol cysteine
Formula:	C11 H17 N O4 S
SMILES:	Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C
InChi:	InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol

M7H

M7H
Name:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
Formula:	C21 H24 N4 O2
SMILES:	COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O
InChi:	InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3
Definition date:	2019-10-03
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone

RXN

RXN
Name:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
Synonyms:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Definition date:	2020-10-31
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

QRM

QRM
Name:	3-aminocyclohexa-1,3-diene-1-carboxylic acid
Formula:	C7 H9 N O2
SMILES:	C(=O)(O)C=1CCC=C(C=1)N
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10)
Definition date:	2019-12-11
Last modified:	2020-12-18
Release date:	2020-12-16
Identifier:	3-aminocyclohexa-1,3-diene-1-carboxylic acid

QRN

QRN
Name:	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
Formula:	C16 H15 N O2 S
SMILES:	COc1ccc(CCc2sc3ccccc3n2)cc1O
InChi:	InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3
Definition date:	2020-07-30
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol

QRQ

QRQ
Name:	2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
Formula:	C18 H19 N O3 S
SMILES:	COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC
InChi:	InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3
Definition date:	2020-07-30
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole

QU7

QU7
Name:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
Formula:	C28 H34 O
SMILES:	C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC
InChi:	InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1
Synonyms:	SS-RJW100
Definition date:	2019-12-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol

XM2

XM2
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Formula:	C32 H44 N4 O7
SMILES:	c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O
InChi:	InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
Definition date:	2020-08-13
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide

UZD

UZD
Name:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
Formula:	C15 H29 N O7
SMILES:	O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
InChi:	InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
Definition date:	2020-06-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside

WT7

WT7
Name:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
Formula:	C14 H22 N5 O7 P
SMILES:	C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O
InChi:	InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine

SYZ

SYZ
Name:	N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
Formula:	C13 H14 N2 O3 S
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:	InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
Synonyms:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide

SZ2

SZ2
Name:	5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole
Formula:	C13 H15 N3 O
SMILES:	C1CCC(CC1)c2onc(n2)c3ccncc3
InChi:	InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
Synonyms:	5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole

SZB

SZB
Name:	succinimide
Formula:	C4 H3 N O2
SMILES:	O=C1NC(=O)C=C1
InChi:	InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
Synonyms:	pyrrolidine-2,5-dione
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	pyrrole-2,5-dione

SZE

SZE
Name:	4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
Formula:	C10 H12 F N3 O
SMILES:	CN1CCN(CC1=O)c2ncccc2F
InChi:	InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3
Synonyms:	4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	(4~{R})-4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one

SZK

SZK
Name:	(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
Formula:	C14 H15 N3 O
SMILES:	CCn1c(NCc2occc2)nc3ccccc13
InChi:	InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
Synonyms:	1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine

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