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: 43884 results BIRD

B0O

B0O
Name:	(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one
Formula:	C22 H25 N O2
SMILES:	C2(=O)C=1C4C(C(C=CC)OC=1C(=CN2)c3ccccc3)CCCC4C
InChi:	InChI=1S/C22H25NO2/c1-3-8-18-16-12-7-9-14(2)19(16)20-21(25-18)17(13-23-22(20)24)15-10-5-4-6-11-15/h3-6,8,10-11,13-14,16,18-19H,7,9,12H2,1-2H3,(H,23,24)/b8-3+/t14-,16+,18+,19+/m0/s1
Definition date:	2018-12-21
Last modified:	2019-07-12
Release date:	2019-07-17
Identifier:	(6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one

FFZ

FFZ
Name:	3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE
Formula:	C28 H29 N3 O3
SMILES:	COc3ccc(C=1C2C(C(N(C(C)C)N=1)=O)CC=CC2)cc3C#CC(=O)NCc4ccccc4
InChi:	InChI=1S/C28H29N3O3/c1-19(2)31-28(33)24-12-8-7-11-23(24)27(30-31)22-13-15-25(34-3)21(17-22)14-16-26(32)29-18-20-9-5-4-6-10-20/h4-10,13,15,17,19,23-24H,11-12,18H2,1-3H3,(H,29,32)/t23-,24+/m0/s1
Definition date:	2018-06-27
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-benzyl-3-{2-methoxy-5-[(4aR,8aS)-4-oxo-3-(propan-2-yl)-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]phenyl}prop-2-ynamide

NK4

NK4
Name:	(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
Formula:	C39 H67 N5 O12
SMILES:	C1(CN)C(C(O)C(O1)OC(C2N(CC(CCCCCCCCCCCCCCCCC)C(C(O)=O)N(C)C2=O)C)C4C(C(C(N3C(NC(C=C3)=O)=O)O4)O)O)O
InChi:	InChI=1S/C39H67N5O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23-42(2)28(35(50)43(3)27(24)37(51)52)33(56-38-32(49)29(46)25(22-40)54-38)34-30(47)31(48)36(55-34)44-21-20-26(45)41-39(44)53/h20-21,24-25,27-34,36,38,46-49H,4-19,22-23,40H2,1-3H3,(H,51,52)(H,41,45,53)/t24-,25+,27-,28-,29+,30-,31+,32+,33-,34-,36+,38-/m0/s1
Definition date:	2019-05-16
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine

NKD

NKD
Name:	(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Formula:	C38 H48 N8 O13 S
SMILES:	CSCC[CH](NC(=O)N[CH](Cc1cccc(O)c1)C(O)=O)C(=O)N[CH]([CH](C)N(C)C(=O)[CH](N)Cc2cccc(O)c2)C(=O)NC=C3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O
InChi:	InChI=1S/C38H48N8O13S/c1-19(45(2)34(54)24(39)16-20-6-4-8-22(47)14-20)29(33(53)40-18-27-30(50)31(51)35(59-27)46-12-10-28(49)43-38(46)58)44-32(52)25(11-13-60-3)41-37(57)42-26(36(55)56)17-21-7-5-9-23(48)15-21/h4-10,12,14-15,18-19,24-26,29-31,35,47-48,50-51H,11,13,16-17,39H2,1-3H3,(H,40,53)(H,44,52)(H,55,56)(H2,41,42,57)(H,43,49,58)/b27-18-/t19-,24-,25-,26-,29-,30+,31+,35+/m0/s1
Definition date:	2019-05-16
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid

NKM

NKM
Name:	(2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide
Formula:	C23 H31 N5 O12
SMILES:	C1(OC(=CC(O)C1O)C(=O)NC2CCCCNC2=O)OC(C4C(C(C(N3C=CC(=O)NC3=O)O4)O)OC)C(=O)N
InChi:	InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
Definition date:	2019-05-16
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2S,3S,4S)-2-{(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide (non-preferred name)

NNM

NNM
Name:	(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
Formula:	C40 H69 O4 P
SMILES:	C(CCCC(=C)/CCCC(=C)CCC/C(CCCC(=C)CCC/C(CCCC(=C)CCCC(=C)C)=C)=C)(CCOP(O)(O)=O)C
InChi:	InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1
Definition date:	2019-05-22
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate

NUA

NUA
Name:	N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
Formula:	C10 H15 N3 O
SMILES:	n1(CC)ncc(c1)NC(=O)C2CCC2
InChi:	InChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)
Definition date:	2019-05-28
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide

NUY

NUY
Name:	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
Formula:	C12 H18 N2 O S
SMILES:	N1(C(C)C)CCN(CC1)C(c2cccs2)=O
InChi:	InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
Definition date:	2019-05-28
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone

NWP

NWP
Name:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
Formula:	C9 H20 N2 O3 S
SMILES:	N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1
InChi:	InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide

NWV

NWV
Name:	N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
Formula:	C10 H11 N3 O2
SMILES:	N(Cc1cn(C)nc1)C(=O)c2ccco2
InChi:	InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

NX7

NX7
Name:	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
Formula:	C11 H11 F2 N O
SMILES:	c1(cccc(c1C(=O)N2CCCC2)F)F
InChi:	InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone

NXJ

NXJ
Name:	(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C12 H16 N2 O
SMILES:	n2cccc(N(C)C(=O)C1C(C1)(C)C)c2
InChi:	InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide

NXM

NXM
Name:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
Formula:	C11 H17 N3 O
SMILES:	n2c(CC1CCNCC1)onc2C3CC3
InChi:	InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

NXS

NXS
Name:	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
Formula:	C10 H15 N3 O
SMILES:	N2(c1ncccn1)CCC(CC2)CO
InChi:	InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol

NY1

NY1
Name:	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
Formula:	C10 H14 N2 O2 S
SMILES:	n2c(CC(N1CCOCC1)=O)csc2C
InChi:	InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one

NY4

NY4
Name:	N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:	C12 H16 N2 O
SMILES:	NC(C)c1ccc(cc1)NC(=O)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide

NY7

NY7
Name:	N-(2-methoxy-5-methylphenyl)glycinamide
Formula:	C10 H14 N2 O2
SMILES:	N(c1cc(ccc1OC)C)C(CN)=O
InChi:	InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-(2-methoxy-5-methylphenyl)glycinamide

NYV

NYV
Name:	1-(propan-2-yl)-1H-imidazole-4-sulfonamide
Formula:	C6 H11 N3 O2 S
SMILES:	n1(cnc(S(N)(=O)=O)c1)C(C)C
InChi:	InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	1-(propan-2-yl)-1H-imidazole-4-sulfonamide

NZ1

NZ1
Name:	5-methoxy-1,3-benzothiazol-2-amine
Formula:	C8 H8 N2 O S
SMILES:	Nc2sc1ccc(cc1n2)OC
InChi:	InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	5-methoxy-1,3-benzothiazol-2-amine

NZ7

NZ7
Name:	(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:	C10 H18 N2 O3
SMILES:	N(C)(C)C(N2CCOCC21COCC1)=O
InChi:	InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide

NZD

NZD
Name:	4-methyl-N-phenylpiperazine-1-carboxamide
Formula:	C12 H17 N3 O
SMILES:	N1(CCN(CC1)C(Nc2ccccc2)=O)C
InChi:	InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	4-methyl-N-phenylpiperazine-1-carboxamide

NZJ

NZJ
Name:	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
Formula:	C14 H18 N2 O2
SMILES:	N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O
InChi:	InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
Definition date:	2019-05-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide

O2A

O2A
Name:	N-methyl-1H-indole-7-carboxamide
Formula:	C10 H10 N2 O
SMILES:	N(C(c2cccc1ccnc12)=O)C
InChi:	InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)
Definition date:	2019-06-04
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	N-methyl-1H-indole-7-carboxamide

G5E

G5E
Name:	3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione
Formula:	C14 H10 F N3 O2 S
SMILES:	Oc1ccc(c(O)c1)C2=NNC(=S)N2c3ccccc3F
InChi:	InChI=1S/C14H10FN3O2S/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21)
Definition date:	2018-08-29
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione

G8K

G8K
Name:	[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
Formula:	C21 H19 N3 O4
SMILES:	COc1c(OC)cc(cc1OC)C(=O)c2cnc(n2)c3c4c(ccc3)ncc4
InChi:	InChI=1S/C21H19N3O4/c1-26-17-9-12(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-5-4-6-15-13(14)7-8-22-15/h4-11,22H,1-3H3,(H,23,24)
Definition date:	2018-01-24
Last modified:	2019-07-05
Release date:	2019-07-10
Identifier:	[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone

<959 960 961 962 963 964 965966967 968 969 970 971 972 973 974 >

238582

数据于2025-07-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon