Chemie Search results for query - 日本蛋白質結構資料庫

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: 41512 results BIRD

A1BEE

A1BEE
Name:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide
Formula:	C30 H36 N6 O3
SMILES:	O=C(Cn1cc(cn1)c1cc(C(C)NC(=O)c2cc(OCCN(C)C)ccc2C)c2ccccc2n1)N(C)C
InChi:	InChI=1S/C30H36N6O3/c1-20-11-12-23(39-14-13-34(3)4)15-25(20)30(38)32-21(2)26-16-28(33-27-10-8-7-9-24(26)27)22-17-31-36(18-22)19-29(37)35(5)6/h7-12,15-18,21H,13-14,19H2,1-6H3,(H,32,38)
Definition date:	2024-10-28
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide

A1BEF

A1BEF
Name:	5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide
Formula:	C29 H34 N6 O
SMILES:	Cn1cc(cn1)c1nc2ccccc2c(c1)C(C)NC(=O)c1cc(ccc1C)N1CC(C)N(C)CC1
InChi:	InChI=1S/C29H34N6O/c1-19-10-11-23(35-13-12-33(4)20(2)17-35)14-25(19)29(36)31-21(3)26-15-28(22-16-30-34(5)18-22)32-27-9-7-6-8-24(26)27/h6-11,14-16,18,20-21H,12-13,17H2,1-5H3,(H,31,36)
Definition date:	2024-10-28
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide

A1BEL

A1BEL
Name:	2-methyl-N-{(1S)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}benzamide
Formula:	C29 H33 N5 O2
SMILES:	Cn1cc(cn1)c1nc2ccccc2c(c1)C(C)NC(=O)c1cc(OCC2CCCN2C)ccc1C
InChi:	InChI=1S/C29H33N5O2/c1-19-11-12-23(36-18-22-8-7-13-33(22)3)14-25(19)29(35)31-20(2)26-15-28(21-16-30-34(4)17-21)32-27-10-6-5-9-24(26)27/h5-6,9-12,14-17,20,22H,7-8,13,18H2,1-4H3,(H,31,35)/t20-,22-/m0/s1
Definition date:	2024-10-30
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	2-methyl-N-{(1S)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}benzamide

A1BJB

A1BJB
Name:	(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Formula:	C25 H25 B N4 O10
SMILES:	O=C(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O
InChi:	InChI=1S/C25H25BN4O10/c1-2-29-10-11-30(22(33)21(29)32)25(38)28-18(13-6-8-14(9-7-13)23(34)35)20(31)27-17-12-15-4-3-5-16(24(36)37)19(15)40-26(17)39/h3-9,17-18,39H,2,10-12H2,1H3,(H,27,31)(H,28,38)(H,34,35)(H,36,37)/t17-,18+/m0/s1
Definition date:	2024-12-06
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid

A1BJC

A1BJC
Name:	(3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Formula:	C24 H26 B N4 O11 P
SMILES:	O=P(O)(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O
InChi:	InChI=1S/C24H26BN4O11P/c1-2-28-10-11-29(22(32)21(28)31)24(35)27-18(13-6-8-15(9-7-13)41(37,38)39)20(30)26-17-12-14-4-3-5-16(23(33)34)19(14)40-25(17)36/h3-9,17-18,36H,2,10-12H2,1H3,(H,26,30)(H,27,35)(H,33,34)(H2,37,38,39)/t17-,18+/m0/s1
Definition date:	2024-12-06
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid

A1ATF

A1ATF
Name:	2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide
Formula:	C23 H21 F N4 O3 S
SMILES:	NC(=O)Cc1ccc(Nc2nnc(c3sccc32)c2ccccc2OCCOC)c(F)c1
InChi:	InChI=1S/C23H21FN4O3S/c1-30-9-10-31-19-5-3-2-4-15(19)21-22-16(8-11-32-22)23(28-27-21)26-18-7-6-14(12-17(18)24)13-20(25)29/h2-8,11-12H,9-10,13H2,1H3,(H2,25,29)(H,26,28)
Definition date:	2024-05-29
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	2-[3-fluoro-4-({(7P)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl}amino)phenyl]acetamide

A1AAA

A1AAA
Name:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine
Formula:	C17 H18 N8
SMILES:	Cn1cc(C)c(Nc2ncc3c(c2)cc(nc3N)c2cncn2C)n1
InChi:	InChI=1S/C17H18N8/c1-10-8-25(3)23-17(10)22-15-5-11-4-13(14-7-19-9-24(14)2)21-16(18)12(11)6-20-15/h4-9H,1-3H3,(H2,18,21)(H,20,22,23)
Definition date:	2023-12-12
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine

A1IEA

A1IEA
Name:	N3-methyl adenosine-5'-monophosphate
Formula:	C11 H17 N5 O7 P
SMILES:	C[n+]1cnc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c12
InChi:	InChI=1S/C11H16N5O7P/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/p+1/t5-,7-,8-,11-/m1/s1
Synonyms:	[(2R,3S,4R,5R)-5-(6-azanyl-3-methyl-purin-3-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Definition date:	2024-06-13
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-3-methyl-purin-3-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

A1BNR

A1BNR
Name:	N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Formula:	C16 H19 N3 O2 S
SMILES:	O=C1N=C(SCC(=O)NC2CCCCC2)Nc2ccccc21
InChi:	InChI=1S/C16H19N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19,21)
Definition date:	2025-01-07
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

A1EHX

A1EHX
Name:	[9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Formula:	C40 H42 N7 O7
SMILES:	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNC(=O)c3ccc(C(O)=O)c(c3)C4=C5C=CC(C=C5Oc6cc(ccc46)N(C)C)=[N+](C)C
InChi:	InChI=1S/C40H41N7O7/c1-46(2)25-8-11-28-31(19-25)54-32-20-26(47(3)4)9-12-29(32)35(28)30-18-23(7-10-27(30)39(49)50)38(48)43-13-14-53-36-33(51-5)16-22(17-34(36)52-6)15-24-21-44-40(42)45-37(24)41/h7-12,16-21H,13-15H2,1-6H3,(H5-,41,42,43,44,45,48,49,50)/p+1
Definition date:	2024-12-13
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	[9-[5-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethylcarbamoyl]-2-carboxy-phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

A1IJY

A1IJY
Name:	(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H27 N3 O8
SMILES:	C[CH](N[CH]([CH]1CCCN1C(=O)c2ccc(cc2)C(O)=O)C(O)=O)C(=O)N3CCC[CH]3C(O)=O
InChi:	InChI=1S/C22H27N3O8/c1-12(18(26)25-11-3-5-16(25)21(30)31)23-17(22(32)33)15-4-2-10-24(15)19(27)13-6-8-14(9-7-13)20(28)29/h6-9,12,15-17,23H,2-5,10-11H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t12-,15-,16-,17-/m0/s1
Definition date:	2024-08-03
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

A1IJZ

A1IJZ
Name:	(2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C23 H32 N4 O6
SMILES:	C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)Cc2ccccc2)C(O)=O)C(=O)N3CCC[CH]3C(O)=O
InChi:	InChI=1S/C23H32N4O6/c1-14(20(28)27-12-6-10-18(27)22(30)31)25-19(23(32)33)17-9-5-11-26(17)21(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,25H,5-6,9-13,24H2,1H3,(H,30,31)(H,32,33)/t14-,16-,17-,18-,19-/m0/s1
Definition date:	2024-08-03
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

A1IKG

A1IKG
Name:	2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridin-4-one
Formula:	C22 H18 F3 N O4
SMILES:	CC1=NC2=C(COCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C22H18F3NO4/c1-13-20(21(27)18-12-28-11-10-19(18)26-13)14-2-4-15(5-3-14)29-16-6-8-17(9-7-16)30-22(23,24)25/h2-9,20H,10-12H2,1H3/t20-/m0/s1
Synonyms:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one
Definition date:	2024-08-08
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one

A1IMJ

A1IMJ
Name:	1-[2-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4,4-bis(fluoranyl)cyclohexane-1-carboxylic acid
Formula:	C17 H17 Br F2 N2 O5
SMILES:	OC(=O)C1(CCC(F)(F)CC1)NC(=O)CN2C(=O)COc3ccc(Br)cc23
InChi:	InChI=1S/C17H17BrF2N2O5/c18-10-1-2-12-11(7-10)22(14(24)9-27-12)8-13(23)21-16(15(25)26)3-5-17(19,20)6-4-16/h1-2,7H,3-6,8-9H2,(H,21,23)(H,25,26)
Synonyms:	1-[2-(6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-4,4-difluorocyclohexane-1-carboxylic acid
Definition date:	2024-08-23
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	1-[2-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4,4-bis(fluoranyl)cyclohexane-1-carboxylic acid

A1ITF

A1ITF
Name:	4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile
Formula:	C20 H23 F N6 O2
SMILES:	CO[CH]1C[CH](CN(C1)C(=O)c2c[nH]c(c2)C#N)c3ccnc(n3)N4CC[CH](F)C4
InChi:	InChI=1S/C20H23FN6O2/c1-29-17-7-14(10-27(12-17)19(28)13-6-16(8-22)24-9-13)18-2-4-23-20(25-18)26-5-3-15(21)11-26/h2,4,6,9,14-15,17,24H,3,5,7,10-12H2,1H3/t14-,15+,17+/m0/s1
Definition date:	2024-10-30
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile

A1L09

A1L09
Name:	~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C28 H40 N4 O3
SMILES:	CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccc(CN(C)C)cc3
InChi:	InChI=1S/C28H40N4O3/c1-7-8-9-21(26(34)29-16-19-10-12-20(13-11-19)17-32(5)6)31-27(35)25-18(2)24-22(30-25)14-28(3,4)15-23(24)33/h10-13,21,30H,7-9,14-17H2,1-6H3,(H,29,34)(H,31,35)/t21-/m0/s1
Definition date:	2024-04-24
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

A1L3A

A1L3A
Name:	bozitinib
Formula:	C20 H15 F3 N8
SMILES:	Cn1cc2cc(c(F)cc2n1)C(F)(F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6
InChi:	InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
Synonyms:	9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene
Definition date:	2024-07-24
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	3-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

IXB

IXB
Name:	(3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid
Formula:	C17 H14 N2 O4
SMILES:	NC(=O)c1cccc(c1)C(=O)N2C[CH](C(O)=O)c3ccccc23
InChi:	InChI=1S/C17H14N2O4/c18-15(20)10-4-3-5-11(8-10)16(21)19-9-13(17(22)23)12-6-1-2-7-14(12)19/h1-8,13H,9H2,(H2,18,20)(H,22,23)/t13-/m1/s1
Synonyms:	1-(3-carbamoylbenzoyl)-2,3-dihydro-1H-indole-3-carboxylic acid
Definition date:	2022-04-19
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3~{S})-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid

SFG

SFG
Name:	SINEFUNGIN
Formula:	C15 H23 N7 O5
SMILES:	O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
Synonyms:	ADENOSYL-ORNITHINE
Definition date:	1999-07-08
Last modified:	2025-01-14
Identifier:	(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)

HEC

HEC
Name:	HEME C
Formula:	C34 H34 Fe N4 O4
SMILES:	O=C(O)CCC1=C(C2=CC6=C(C(=C/C)C5=CC4=C(C(C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
InChi:	InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	1999-07-08
Last modified:	2025-01-13
Identifier:	{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

WHE

WHE
Name:	(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide
Formula:	C23 H21 Cl F N5 O S
SMILES:	Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1CN1CCC1
InChi:	InChI=1S/C23H21ClFN5OS/c1-26-23(31)21-10-16(13-32-21)30-20-9-15(12-29-6-3-7-29)19(8-14(20)11-27-30)28-22-17(24)4-2-5-18(22)25/h2,4-5,8-11,13,28H,3,6-7,12H2,1H3,(H,26,31)
Definition date:	2022-09-09
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	(4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide

W2N

W2N
Name:	(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol
Formula:	C14 H13 F O
SMILES:	C[CH](O)c1ccc(cc1)c2ccccc2F
InChi:	InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m0/s1
Definition date:	2023-09-25
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol

W4B

W4B
Name:	(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol
Formula:	C14 H13 F O
SMILES:	C[CH](O)c1ccc(cc1)c2ccccc2F
InChi:	InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m1/s1
Definition date:	2023-09-25
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol

VP4

VP4
Name:	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide
Formula:	C21 H23 Cl N4 O2
SMILES:	CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)cc(cn3)CO)C
InChi:	InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide

W4K

W4K
Name:	(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol
Formula:	C20 H26 F N O3
SMILES:	CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F
InChi:	InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20+/m1/s1
Definition date:	2023-09-25
Last modified:	2025-01-10
Release date:	2025-01-15
Identifier:	(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol

<32 33 34 35 36 37 383940 41 42 43 44 45 46 47 >

239149

數據於2025-07-23公開中

PDB statistics

PDBj update info

Contact PDBj

numon