Chemie Search results for query - 日本蛋白质结构数据库

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: 40291 results BIRD

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

L8M

L8M
Name:	N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
Formula:	C20 H26 F N7
SMILES:	c34c(c(Nc1cc(C(C)(C)C)nn1)nc(N2C(C)CNCC2)n3)cccc4F
InChi:	InChI=1S/C20H26FN7/c1-12-11-22-8-9-28(12)19-24-17-13(6-5-7-14(17)21)18(25-19)23-16-10-15(26-27-16)20(2,3)4/h5-7,10,12,22H,8-9,11H2,1-4H3,(H2,23,24,25,26,27)/t12-/m1/s1
Definition date:	2019-02-12
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine

LBD

LBD
Name:	N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
Formula:	C20 H27 N7
SMILES:	CC1CNCCN1c2nc(c3c(n2)cccc3)Nc4nnc(C(C)(C)C)c4
InChi:	InChI=1S/C20H27N7/c1-13-12-21-9-10-27(13)19-22-15-8-6-5-7-14(15)18(24-19)23-17-11-16(25-26-17)20(2,3)4/h5-8,11,13,21H,9-10,12H2,1-4H3,(H2,22,23,24,25,26)/t13-/m1/s1
Definition date:	2019-02-15
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine

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

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

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

H2G

H2G
Name:	(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
Formula:	C9 H15 N O S
SMILES:	N(CC(C)O)Cc1ccc(s1)C
InChi:	InChI=1S/C9H15NOS/c1-7(11)5-10-6-9-4-3-8(2)12-9/h3-4,7,10-11H,5-6H2,1-2H3/t7-/m0/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol

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

H2Y

H2Y
Name:	2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H14 N2 O2
SMILES:	N(C(Cc1ccc(OC)cc1)=O)c2cnccc2
InChi:	InChI=1S/C14H14N2O2/c1-18-13-6-4-11(5-7-13)9-14(17)16-12-3-2-8-15-10-12/h2-8,10H,9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide

H31

H31
Name:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O
SMILES:	c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3
InChi:	InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H3A

H3A
Name:	N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
Formula:	C15 H14 Cl N O2
SMILES:	N(C(Cc1cccc(c1)OC)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C15H14ClNO2/c1-19-14-7-2-4-11(8-14)9-15(18)17-13-6-3-5-12(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-(3-methoxyphenyl)acetamide

H3G

H3G
Name:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
Formula:	C16 H23 N O
SMILES:	N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2
InChi:	InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone

H3J

H3J
Name:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
Formula:	C11 H9 N O2
SMILES:	n2cccc(OC=1C(C=CC=1C)=O)c2
InChi:	InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one

<898 899 900 901 902 903 904905906 907 908 909 910 911 912 913 >

226707

数据于2024-10-30公开中

PDB statistics

PDBj update info

Contact PDBj

numon