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: 44145 results BIRD

1IY

1IY
Name:	N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine
Formula:	C20 H23 N5 O2 S
SMILES:	CN(C)CCCn1ccc2cc(ccc12)c3nc(nc4[nH]ccc34)[S](C)(=O)=O
InChi:	InChI=1S/C20H23N5O2S/c1-24(2)10-4-11-25-12-8-14-13-15(5-6-17(14)25)18-16-7-9-21-19(16)23-20(22-18)28(3,26)27/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22,23)
Definition date:	2021-06-26
Last modified:	2022-06-24
Release date:	2022-06-29
Identifier:	~{N},~{N}-dimethyl-3-[5-(2-methylsulfonyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine

1IZ

1IZ
Name:	N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide
Formula:	C22 H25 F3 N2 O3
SMILES:	FC(F)(F)Oc1cccc(c1)C(=O)NCC1CCCCC1CCOc1cccnc1
InChi:	InChI=1S/C22H25F3N2O3/c23-22(24,25)30-19-8-3-7-17(13-19)21(28)27-14-18-6-2-1-5-16(18)10-12-29-20-9-4-11-26-15-20/h3-4,7-9,11,13,15-16,18H,1-2,5-6,10,12,14H2,(H,27,28)/t16-,18-/m0/s1
Definition date:	2021-06-22
Last modified:	2022-06-24
Release date:	2022-06-29
Identifier:	N-{[(1R,2S)-2-{2-[(pyridin-3-yl)oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy)benzamide

1JI

1JI
Name:	4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide
Formula:	C25 H23 Cl N4 O2
SMILES:	O=C(NC1CNCC1c1ccccc1)c1ccc(Cl)c(COc2cc3cc[NH]c3nc2)c1
InChi:	InChI=1S/C25H23ClN4O2/c26-22-7-6-18(10-19(22)15-32-20-11-17-8-9-28-24(17)29-12-20)25(31)30-23-14-27-13-21(23)16-4-2-1-3-5-16/h1-12,21,23,27H,13-15H2,(H,28,29)(H,30,31)/t21-,23+/m0/s1
Definition date:	2021-06-22
Last modified:	2022-06-24
Release date:	2022-06-29
Identifier:	4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide

1K2

1K2
Name:	3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide
Formula:	C24 H20 Cl N3 O2
SMILES:	O=C(NC1CC1c1ccccc1)c1cc(cc(Cl)c1)COc1cc2cc[NH]c2nc1
InChi:	InChI=1S/C24H20ClN3O2/c25-19-9-15(14-30-20-11-17-6-7-26-23(17)27-13-20)8-18(10-19)24(29)28-22-12-21(22)16-4-2-1-3-5-16/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,29)/t21-,22+/m0/s1
Definition date:	2021-06-22
Last modified:	2022-06-24
Release date:	2022-06-29
Identifier:	3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide

QQA

QQA
Name:	1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
Formula:	C23 H24 Cl2 N8 O3
SMILES:	CN1CC(=O)N(CC1)c1ccc(NCCNc2ccc([N+]([O-])=O)c(N)n2)nc1c1ccc(Cl)cc1Cl
InChi:	InChI=1S/C23H24Cl2N8O3/c1-31-10-11-32(21(34)13-31)17-4-6-19(29-22(17)15-3-2-14(24)12-16(15)25)27-8-9-28-20-7-5-18(33(35)36)23(26)30-20/h2-7,12H,8-11,13H2,1H3,(H,27,29)(H3,26,28,30)
Definition date:	2019-12-07
Last modified:	2022-06-22
Release date:	2020-01-15
Identifier:	1-[(2P)-6-({2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino)-2-(2,4-dichlorophenyl)pyridin-3-yl]-4-methylpiperazin-2-one

USK

USK
Name:	(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide
Formula:	C23 H23 N5 O5 S2
SMILES:	ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4
InChi:	InChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1
Definition date:	2021-03-12
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide

UQE

UQE
Name:	(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide
Formula:	C21 H20 N6 O5 S2
SMILES:	ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2
InChi:	InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1
Definition date:	2021-03-08
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide

C3U

C3U
Name:	1-chloranyl-2-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1ccccc1Cl
InChi:	InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
Synonyms:	1-Chloro-2-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-2-methyl-benzene

C4O

C4O
Name:	1-chloranyl-4-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1ccc(Cl)cc1
InChi:	InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Synonyms:	1-chloro-4-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-4-methyl-benzene

C4U

C4U
Name:	1-chloranyl-3-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1cccc(Cl)c1
InChi:	InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
Synonyms:	1-chloro-3-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-3-methyl-benzene

C5O

C5O
Name:	1-bromanyl-4-methyl-benzene
Formula:	C7 H7 Br
SMILES:	Cc1ccc(Br)cc1
InChi:	InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Synonyms:	1-bromo-4-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-bromanyl-4-methyl-benzene

0HP

0HP
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamide
Formula:	C22 H20 N4 O S
SMILES:	NC(=N)c1sc(CNC(=O)Cc2ccc3cc[nH]c3c2)c(c1)c4ccccc4
InChi:	InChI=1S/C22H20N4OS/c23-22(24)19-12-17(15-4-2-1-3-5-15)20(28-19)13-26-21(27)11-14-6-7-16-8-9-25-18(16)10-14/h1-10,12,25H,11,13H2,(H3,23,24)(H,26,27)
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2-(1~{H}-indol-6-yl)ethanamide

0I2

0I2
Name:	(4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide
Formula:	C19 H23 N3 O2 S
SMILES:	NC(=N)c1sc(CNC(=O)[CH]2CCCOCC2)c(c1)c3ccccc3
InChi:	InChI=1S/C19H23N3O2S/c20-18(21)16-11-15(13-5-2-1-3-6-13)17(25-16)12-22-19(23)14-7-4-9-24-10-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H3,20,21)(H,22,23)/t14-/m0/s1
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide

0IC

0IC
Name:	4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide
Formula:	C18 H23 N O6 S Se Te
SMILES:	COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
InChi:	InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m0/s1
Synonyms:	4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	4-[(2~{S})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide

0IG

0IG
Name:	~{N}-[4-[4-[(azanylidene-$l^{4}-azanylidene)amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
Formula:	C18 H16 N9 O3 S
SMILES:	CN1C(=O)N(C)c2ncn(CC(=O)Nc3scc(n3)c4ccc(cc4)N=[N+]=N)c2C1=O
InChi:	InChI=1S/C18H15N9O3S/c1-25-15-14(16(29)26(2)18(25)30)27(9-20-15)7-13(28)22-17-21-12(8-31-17)10-3-5-11(6-4-10)23-24-19/h3-6,8-9,19H,7H2,1-2H3/p+1
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	azanylidene-[4-[2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-1,3-thiazol-4-yl]phenyl]imino-azanium

EMY

EMY
Name:	S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate
Formula:	C19 H16 Cl N3 O2 S
SMILES:	Clc1nc(NCc2ccc(O)cc2)cc(SC(=O)Cc2ccccc2)n1
InChi:	InChI=1S/C19H16ClN3O2S/c20-19-22-16(21-12-14-6-8-15(24)9-7-14)11-17(23-19)26-18(25)10-13-4-2-1-3-5-13/h1-9,11,24H,10,12H2,(H,21,22,23)
Definition date:	2021-12-09
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate

0V1

0V1
Name:	(2~{S})-butane-1,2,4-triol
Formula:	C4 H10 O3
SMILES:	OCC[CH](O)CO
InChi:	InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
Synonyms:	(S)-1,2,4-butanentriol
Definition date:	2021-06-09
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S})-butane-1,2,4-triol

G7L

G7L
Name:	N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
Formula:	C9 H9 F3 N2 O S
SMILES:	CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
InChi:	InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3
Definition date:	2020-08-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

GAY

GAY
Name:	3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide
Formula:	C22 H19 F N4 O3
SMILES:	COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O
InChi:	InChI=1S/C22H19FN4O3/c1-13(28)19-10-17(20-9-15(30-3)7-8-27(19)20)22(29)25-18-6-4-5-16(21(18)23)14-11-24-26(2)12-14/h4-12H,1-3H3,(H,25,29)
Definition date:	2022-05-06
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide

GJ0

GJ0
Name:	(2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid
Formula:	C16 H13 Br F2 N2 O4
SMILES:	N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O
InChi:	InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1
Synonyms:	WAY-213613
Definition date:	2022-05-13
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S})-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid

GOR

GOR
Name:	6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
Formula:	C16 H9 N O6
SMILES:	OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O-])=O
InChi:	InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
Definition date:	2021-06-14
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid

HT9

HT9
Name:	coproporphyrin III
Formula:	C36 H38 N4 O8
SMILES:	Cc1c(CCC(O)=O)c2[nH]c1cc3nc(cc4nc(cc5[nH]c(c2)c(CCC(O)=O)c5C)c(CCC(O)=O)c4C)c(CCC(O)=O)c3C
InChi:	InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
Definition date:	2021-02-01
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	3-[(1~{Z},14~{Z})-8,13,18-tris(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid

HWP

HWP
Name:	[(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Formula:	C39 H79 N2 O6 P
SMILES:	CCCCCCCCCCCCCCCC(=O)N[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)[CH](O)C=CCCCCCCCCCCCCC
InChi:	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
Synonyms:	N-Palmitoylsphingomyelin
Definition date:	2022-05-27
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(~{E},2~{S},3~{R})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

09W

09W
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C21 H19 N3 O2 S
SMILES:	NC(=N)c1sc(CNC(=O)c2cccc3CCOc23)c(c1)c4ccccc4
InChi:	InChI=1S/C21H19N3O2S/c22-20(23)17-11-16(13-5-2-1-3-6-13)18(27-17)12-24-21(25)15-8-4-7-14-9-10-26-19(14)15/h1-8,11H,9-10,12H2,(H3,22,23)(H,24,25)
Definition date:	2021-06-03
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

0B7

0B7
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide
Formula:	C21 H18 N4 O S
SMILES:	NC(=N)c1sc(CNC(=O)c2ccc3cc[nH]c3c2)c(c1)c4ccccc4
InChi:	InChI=1S/C21H18N4OS/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-25-21(26)15-7-6-14-8-9-24-17(14)10-15/h1-11,24H,12H2,(H3,22,23)(H,25,26)
Definition date:	2021-06-03
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide

<473 474 475 476 477 478 479480481 482 483 484 485 486 487 488 >

226262

PDB entries from 2024-10-16

PDB statistics

PDBj update info

Contact PDBj

numon