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: 35294 results BIRD

NRF

NRF
Name:	Norflurazon
Formula:	C12 H9 Cl F3 N3 O
SMILES:	CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
Definition date:	2016-12-14
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	4-chloranyl-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

OBL

OBL
Name:	5-Methoxybenzimidazolyl-norcobamide
Formula:	C60 H85 Co N13 O15 P
SMILES:	COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P](O)(=O)OCCNC(=O)CC[C]4(C)[CH](CC(N)=O)[CH]5[N+]6=C4C(=C7[CH](CCC(N)=O)C(C)(C)C8=[N+]7[Co]69[N]%10C(=C(C)C%11=[N+]9C(=C8)[CH](CCC(N)=O)[C]%11(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]5%10C)C)[CH]3O
InChi:	InChI=1S/C60H86N13O15P.Co/c1-29-48-33(12-16-42(62)76)56(3,4)40(70-48)24-36-32(11-15-41(61)75)58(6,25-45(65)79)53(69-36)30(2)49-34(13-17-43(63)77)59(7,26-46(66)80)60(8,72-49)54-35(23-44(64)78)57(5,52(29)71-54)19-18-47(81)67-20-21-86-89(83,84)88-51-39(27-74)87-55(50(51)82)73-28-68-37-22-31(85-9)10-14-38(37)73
Definition date:	2016-11-07
Last modified:	2017-07-07
Release date:	2017-07-12

Q5F

Q5F
Name:	N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
Formula:	C14 H14 Cl N O2 S
SMILES:	C(COc1c(C)cc(cc1)Cl)NC(c2sccc2)=O
InChi:	InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
Definition date:	2017-04-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide

Q6F

Q6F
Name:	N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
Formula:	C15 H14 Cl2 N2 O3 S
SMILES:	c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O
InChi:	InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
Definition date:	2017-04-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide

88L

88L
Name:	(4-ethylphenyl) dihydrogen phosphate
Formula:	C8 H11 O4 P
SMILES:	CCc1ccc(O[P](O)(O)=O)cc1
InChi:	InChI=1S/C8H11O4P/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
Definition date:	2017-05-17
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	(4-ethylphenyl) dihydrogen phosphate

8D3

8D3
Name:	(6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Formula:	C25 H37 Br O2
SMILES:	CC1=CC[CH]2[CH](C1)c3c(O)cc(cc3OC2(C)C)C(C)(C)CCCCCCBr
InChi:	InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1
Definition date:	2017-06-12
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	(6~{a}~{R},10~{a}~{R})-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6~{a},7,10,10~{a}-tetrahydrobenzo[c]chromen-1-ol

9LW

9LW
Name:	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one
Formula:	C23 H28 N4 O3
SMILES:	CCON=Cc1ccc(OCC[CH](C)CCN2C=CN(C2=O)c3ccncc3)cc1
InChi:	InChI=1S/C23H28N4O3/c1-3-30-25-18-20-4-6-22(7-5-20)29-17-11-19(2)10-14-26-15-16-27(23(26)28)21-8-12-24-13-9-21/h4-9,12-13,15-16,18-19H,3,10-11,14,17H2,1-2H3/b25-18-
Definition date:	2017-06-02
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one

9XG

9XG
Name:	3-methyl-N-phenylaniline
Formula:	C13 H13 N
SMILES:	Cc1cccc(c1)Nc2ccccc2
InChi:	InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
Definition date:	2017-06-22
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3-methyl-N-phenylaniline

9YM

9YM
Name:	[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
Formula:	C14 H24 N3 O8 P
SMILES:	OP(O)(=O)OCc1cnc(c(c1CNC2C(C(C(O)C(N)C2)O)O)O)C
InChi:	InChI=1S/C14H24N3O8P/c1-6-11(18)8(7(3-16-6)5-25-26(22,23)24)4-17-10-2-9(15)12(19)14(21)13(10)20/h3,9-10,12-14,17-21H,2,4-5,15H2,1H3,(H2,22,23,24)/t9-,10+,12+,13-,14-/m0/s1
Definition date:	2017-06-26
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	[4-({[(1R,2S,3S,4R,5S)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate

6VB

6VB
Name:	Bromo-trisulfonatocalix[4]arene
Formula:	C28 H23 Br O13 S3
SMILES:	Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(Br)c2)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O
InChi:	InChI=1S/C28H23BrO13S3/c29-21-5-13-1-15-7-22(43(34,35)36)9-17(26(15)31)3-19-11-24(45(40,41)42)12-20(28(19)33)4-18-10-23(44(37,38)39)8-16(27(18)32)2-14(6-21)25(13)30/h5-12,30-33H,1-4H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)
Definition date:	2016-07-04
Last modified:	2017-07-07
Release date:	2017-07-12

6VJ

6VJ
Name:	Phenyl-trisulfonatocalix[4]arene
Formula:	C34 H28 O13 S3
SMILES:	Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)c6ccccc6)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O
InChi:	InChI=1S/C34H28O13S3/c35-31-20-6-19(18-4-2-1-3-5-18)7-21(31)9-23-13-29(49(42,43)44)15-25(33(23)37)11-27-17-30(50(45,46)47)16-26(34(27)38)10-24-14-28(48(39,40)41)12-22(8-20)32(24)36/h1-7,12-17,35-38H,8-11H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)
Definition date:	2016-07-05
Last modified:	2017-07-07
Release date:	2017-07-12

6VV

6VV
Name:	(1~{R},2~{R})-cyclopentane-1,2-diol
Formula:	C5 H10 O2
SMILES:	O[CH]1CCC[CH]1O
InChi:	InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1
Definition date:	2016-07-08
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	(1~{R},2~{R})-cyclopentane-1,2-diol

9EY

9EY
Name:	methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Formula:	C27 H26 Cl N9 O4
SMILES:	[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)=O)c4cc(Cl)ccc4n5nnnc5
InChi:	InChI=1S/C27H26ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h6-15,20H,2-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b11-6+/t20-/m0/s1
Definition date:	2017-05-04
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate

9F7

9F7
Name:	methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Formula:	C29 H30 Cl N9 O4
SMILES:	c1c(cc2c(c1)c5cnc(C(CCCC(C(N2)=O)CC)NC(=O)[C@H]=[C@H]c3cc(ccc3n4nnnc4)Cl)n5)NC(OC)=O
InChi:	InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1
Definition date:	2017-05-04
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate

9FA

9FA
Name:	methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Formula:	C29 H28 Cl N9 O4
SMILES:	[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(C)C=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5
InChi:	InChI=1S/C29H28ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h3-4,6-11,13-17,22H,5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b4-3+,11-6+/t17-,22-/m0/s1
Definition date:	2017-05-04
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate

9FD

9FD
Name:	methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Formula:	C29 H30 Cl N9 O4
SMILES:	[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(CCC2)C)=O)cn3)c4cc(Cl)ccc4n5nnnc5
InChi:	InChI=1S/C29H30ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h6-11,13-17,22H,3-5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b11-6+/t17-,22-/m0/s1
Definition date:	2017-05-04
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate

9HG

9HG
Name:	N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Formula:	C22 H33 N5 O2
SMILES:	c13cc(c(cc1c(NC2CCN(C)CC2)nc(n3)N(C)C4CCCC4)OC)OC
InChi:	InChI=1S/C22H33N5O2/c1-26-11-9-15(10-12-26)23-21-17-13-19(28-3)20(29-4)14-18(17)24-22(25-21)27(2)16-7-5-6-8-16/h13-16H,5-12H2,1-4H3,(H,23,24,25)
Definition date:	2017-05-12
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

9HJ

9HJ
Name:	6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine
Formula:	C20 H31 N5 O2
SMILES:	c12nc(nc(c1cc(c(c2)OC)OC)NC3CCN(C)CC3)N(C)CCC
InChi:	InChI=1S/C20H31N5O2/c1-6-9-25(3)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-7-10-24(2)11-8-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
Definition date:	2017-05-12
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine

9JN

9JN
Name:	~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
Formula:	C20 H18 N4 O S
SMILES:	NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4
InChi:	InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m1/s1
Definition date:	2017-05-25
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

92Z

92Z
Name:	5-azanyl-3~{H}-pyridin-6-one
Formula:	C5 H6 N2 O
SMILES:	NC1=CCC=NC1=O
InChi:	InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h2-3H,1,6H2
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	5-azanyl-3~{H}-pyridin-6-one

938

938
Name:	4-chloranylpyrimidin-5-amine
Formula:	C4 H4 Cl N3
SMILES:	Nc1cncnc1Cl
InChi:	InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	4-chloranylpyrimidin-5-amine

93B

93B
Name:	1,3-diazinane-2-thione
Formula:	C4 H8 N2 S
SMILES:	S=C1NCCCN1
InChi:	InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	1,3-diazinane-2-thione

93E

93E
Name:	3-chloranylpyridin-2-amine
Formula:	C5 H5 Cl N2
SMILES:	Nc1ncccc1Cl
InChi:	InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3-chloranylpyridin-2-amine

93K

93K
Name:	3,4-bis(azanyl)benzamide
Formula:	C7 H9 N3 O
SMILES:	NC(=O)c1ccc(N)c(N)c1
InChi:	InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3,4-bis(azanyl)benzamide

93Q

93Q
Name:	3-methylpyridin-2-amine
Formula:	C6 H8 N2
SMILES:	Cc1cccnc1N
InChi:	InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
Definition date:	2017-04-13
Last modified:	2017-07-07
Release date:	2017-07-12
Identifier:	3-methylpyridin-2-amine

<915 916 917 918 919 920 921922923 924 925 926 927 928 929 930 >

223166

數據於2024-07-31公開中

PDB statistics

PDBj update info

Contact PDBj

numon