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: 36438 results BIRD

KCD

KCD
Name:	7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
Formula:	C20 H24 F2 N2 O3
SMILES:	CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O
InChi:	InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-
Definition date:	2018-11-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

FVV

FVV
Name:	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
Formula:	C17 H16 F N3
SMILES:	c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
InChi:	InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
Definition date:	2018-04-22
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole

FXB

FXB
Name:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula:	C21 H21 N O3
SMILES:	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
InChi:	InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3
Definition date:	2018-08-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

FYB

FYB
Name:	~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
Formula:	C17 H16 F3 N O4
SMILES:	C1C(F)(CCC(C1)(CNC(C=2Oc3ccc(F)cc3C(C=2)=O)=O)O)F
InChi:	InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)
Definition date:	2018-08-17
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide

EKT

EKT
Name:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
Formula:	C20 H25 F2 N5 O2
SMILES:	CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)C1(C)C
InChi:	InChI=1S/C20H25F2N5O2/c1-11(2)6-7-27-17-15(26(5)18(29)20(27,3)4)10-23-19(25-17)24-12-8-13(21)16(28)14(22)9-12/h8-11,28H,6-7H2,1-5H3,(H,23,24,25)
Definition date:	2018-03-26
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one

GXB

GXB
Name:	Sialylated precision glycomacromolecule
Formula:	C92 H139 N19 O39
SMILES:	CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](OC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(OC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4
InChi:	InChI=1S/C92H139N19O39/c1-58(114)94-22-32-108(87(133)63-8-4-61(5-9-63)50-110-52-65(104-106-110)56-145-91(89(135)136)48-67(117)83(147-59(2)115)85(149-91)81(131)69(119)54-112)33-24-96-73(123)14-16-75(125)98-26-36-139-42-44-141-38-28-100-77(127)18-20-79(129)102-30-40-143-46-47-144-41-31-103-80(130)21-19-78(128)101-29-39-142-45-43-140-37-27-99-76(126)17-15-74(124)97-25-35-109(34-23-95-72(122)13-12-71(93)121)88(134)64-10-6-62(7-11-64)51-111-53-66(105-107-111)57-146-92(90(137)138)49-68(118)84(148-60(3)116)86(150-92)82(132)70(120)55-113/h4-11,52-53,67-70,81-86,112-113,117-120,131-132H,12-51,54-57H2,1-3H3,(H2,93,121)(H,94,114)(H,95,122)(H,96,123)(H,97,124)(H,98,125)(H,99,126)(H,100,127)(H,101,128)(H,102,129)(H,103,130)(H,135,136)(H,137,138)/t67?,68-,69?,70+,81?,82+,83?,84+,85?,86-,91?,92+/m0/s1
Definition date:	2018-10-15
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-[[1-[[4-[2-acetamidoethyl-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[[4-[[4-[[(2~{R},4~{S},5~{R},6~{S})-5-acetyloxy-2-carboxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]carbonyl-[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]ethyl]amino]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethyl]carbamoyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-5-acetyloxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

GZ5

GZ5
Name:	(2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide
Formula:	C30 H36 Cl N5 O
SMILES:	N[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc3c4CCCCc4nc5cc(Cl)ccc35
InChi:	InChI=1S/C30H36ClN5O/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37)/t25-/m1/s1
Definition date:	2018-10-26
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide

GZY

GZY
Name:	1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
Formula:	C13 H17 N O2
SMILES:	C1C(N(C(=O)C)CC1)c2cccc(c2)OC
InChi:	InChI=1S/C13H17NO2/c1-10(15)14-8-4-7-13(14)11-5-3-6-12(9-11)16-2/h3,5-6,9,13H,4,7-8H2,1-2H3/t13-/m0/s1
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one

H04

H04
Name:	1-(2-ethoxyphenyl)piperazine
Formula:	C12 H18 N2 O
SMILES:	N1(CCNCC1)c2ccccc2OCC
InChi:	InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(2-ethoxyphenyl)piperazine

H0A

H0A
Name:	1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one
Formula:	C15 H19 N O2
SMILES:	c1(ccc(cc1)OC)C2N(CCC=CC2)C(=O)C
InChi:	InChI=1S/C15H19NO2/c1-12(17)16-11-5-3-4-6-15(16)13-7-9-14(18-2)10-8-13/h3-4,7-10,15H,5-6,11H2,1-2H3/t15-/m0/s1
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one

H0D

H0D
Name:	N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea
Formula:	C11 H15 Cl N2 O2
SMILES:	N(C(CO)CC)C(=O)Nc1ccc(cc1)Cl
InChi:	InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea

H0G

H0G
Name:	2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
Formula:	C12 H12 N2 O2
SMILES:	N(C(Cc1cccc(C)c1)=O)c2ccon2
InChi:	InChI=1S/C12H12N2O2/c1-9-3-2-4-10(7-9)8-12(15)13-11-5-6-16-14-11/h2-7H,8H2,1H3,(H,13,14,15)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide

H0J

H0J
Name:	5-(pyridin-2-yl)thiophene-2-carbothioamide
Formula:	C10 H8 N2 S2
SMILES:	n2c(c1sc(cc1)C(=S)N)cccc2
InChi:	InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	5-(pyridin-2-yl)thiophene-2-carbothioamide

H0M

H0M
Name:	2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide
Formula:	C13 H12 N2 O2
SMILES:	N(C(Cc1cc(ccc1)O)=O)c2ccccn2
InChi:	InChI=1S/C13H12N2O2/c16-11-5-3-4-10(8-11)9-13(17)15-12-6-1-2-7-14-12/h1-8,16H,9H2,(H,14,15,17)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide

H0P

H0P
Name:	2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide
Formula:	C13 H12 N2 O2
SMILES:	N(C(Cc1cc(ccc1)O)=O)c2cccnc2
InChi:	InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide

H0S

H0S
Name:	N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C12 H11 N5
SMILES:	N(c1ncnc2nncc12)c3ccc(cc3)C
InChi:	InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)16-11-10-6-15-17-12(10)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

H17

H17
Name:	2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
Formula:	C21 H21 Cl N2 O2
SMILES:	N(C(Cc2cccc(C1CCCN1C(=O)[C@H]=C)c2)=O)c3cccc(c3)Cl
InChi:	InChI=1S/C21H21ClN2O2/c1-2-21(26)24-11-5-10-19(24)16-7-3-6-15(12-16)13-20(25)23-18-9-4-8-17(22)14-18/h2-4,6-9,12,14,19H,1,5,10-11,13H2,(H,23,25)/t19-/m1/s1
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

H1A

H1A
Name:	2-ethyl-N-(2-hydroxyphenyl)butanamide
Formula:	C12 H17 N O2
SMILES:	N(C(C(CC)CC)=O)c1c(cccc1)O
InChi:	InChI=1S/C12H17NO2/c1-3-9(4-2)12(15)13-10-7-5-6-8-11(10)14/h5-9,14H,3-4H2,1-2H3,(H,13,15)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-ethyl-N-(2-hydroxyphenyl)butanamide

H1G

H1G
Name:	2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
Formula:	C20 H22 N4 O5
SMILES:	n2cc(NC(Cc1ccc(cc1)OC)=O)cc(c2)OCC(=O)N3CC(NCC3)=O
InChi:	InChI=1S/C20H22N4O5/c1-28-16-4-2-14(3-5-16)8-18(25)23-15-9-17(11-21-10-15)29-13-20(27)24-7-6-22-19(26)12-24/h2-5,9-11H,6-8,12-13H2,1H3,(H,22,26)(H,23,25)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide

H1J

H1J
Name:	N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
Formula:	C14 H11 Cl F N O
SMILES:	N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C14H11ClFNO/c15-11-2-1-3-13(9-11)17-14(18)8-10-4-6-12(16)7-5-10/h1-7,9H,8H2,(H,17,18)
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide

H1P

H1P
Name:	1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one
Formula:	C16 H12 F N O
SMILES:	c2cc(c(c1ccc(F)cc1)cc2)N3C(CC=C3)=O
InChi:	InChI=1S/C16H12FNO/c17-13-9-7-12(8-10-13)14-4-1-2-5-15(14)18-11-3-6-16(18)19/h1-5,7-11H,6H2
Definition date:	2018-06-08
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one

H1Y

H1Y
Name:	N-(3-chlorophenyl)-2-phenylacetamide
Formula:	C14 H12 Cl N O
SMILES:	N(C(Cc1ccccc1)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-phenylacetamide

H2D

H2D
Name:	(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide
Formula:	C13 H14 N2 O2
SMILES:	n1occc1NC(C(c2ccccc2)CC)=O
InChi:	InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)/t11-/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide

H2J

H2J
Name:	N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
Formula:	C15 H14 Cl N O2
SMILES:	N(C(Cc1ccc(cc1)OC)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C15H14ClNO2/c1-19-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide

H2M

H2M
Name:	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
Formula:	C17 H12 F3 N O
SMILES:	c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one

<743 744 745 746 747 748 749750751 752 753 754 755 756 757 758 >

222624

數據於2024-07-17公開中

PDB statistics

PDBj update info

Contact PDBj

numon