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: 40291 results BIRD

JVN

JVN
Name:	(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
Formula:	C11 H12 F N O2
SMILES:	O[CH]1CO[CH]2C[CH]1Nc3ccc(F)cc23
InChi:	InChI=1S/C11H12FNO2/c12-6-1-2-8-7(3-6)11-4-9(13-8)10(14)5-15-11/h1-3,9-11,13-14H,4-5H2/t9-,10-,11-/m1/s1
Definition date:	2019-04-04
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol

JW2

JW2
Name:	~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide
Formula:	C13 H17 N3 O2
SMILES:	O=C(NCc1ccccn1)C(=O)NC2CCCC2
InChi:	InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)
Definition date:	2019-04-05
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide

JWB

JWB
Name:	2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
Formula:	C11 H13 N O4
SMILES:	OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O
InChi:	InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9+
Definition date:	2019-04-05
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid

K6M

K6M
Name:	N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
Formula:	C15 H21 F3 N2 O
SMILES:	N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O
InChi:	InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide

K6P

K6P
Name:	N-[3-(tert-butylamino)propyl]-3-iodobenzamide
Formula:	C14 H21 I N2 O
SMILES:	N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C
InChi:	InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-iodobenzamide

K6S

K6S
Name:	N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
Formula:	C17 H28 N2 O
SMILES:	N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O
InChi:	InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide

KDQ

KDQ
Name:	(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
Formula:	C22 H26 Cl N3 O5 S
SMILES:	OCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3
InChi:	InChI=1S/C22H26ClN3O5S/c23-19-9-8-17(14-27)18(11-19)12-24-22(29)20-7-4-10-26(20)21(28)13-25-32(30,31)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,20,25,27H,4,7,10,12-15H2,(H,24,29)/t20-/m0/s1
Definition date:	2019-05-14
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide

KDY

KDY
Name:	2-(1H-indol-4-yl)ethan-1-amine
Formula:	C10 H12 N2
SMILES:	C(Cc2c1ccnc1ccc2)N
InChi:	InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
Definition date:	2018-11-27
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-(1H-indol-4-yl)ethan-1-amine

QLN

QLN
Name:	3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
Formula:	C25 H16 N2 O3
SMILES:	OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C
InChi:	InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+
Definition date:	2018-12-18
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

OVM

OVM
Name:	3-methoxybenzoic acid
Formula:	C8 H8 O3
SMILES:	C(O)(c1cccc(c1)OC)=O
InChi:	InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
Definition date:	2019-07-09
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-methoxybenzoic acid

OVP

OVP
Name:	3-(methylsulfanyl)benzoic acid
Formula:	C8 H8 O2 S
SMILES:	CSc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
Definition date:	2019-07-09
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-(methylsulfanyl)benzoic acid

OW4

OW4
Name:	3-(methylamino)benzoic acid
Formula:	C8 H9 N O2
SMILES:	CNc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-(methylamino)benzoic acid

OW7

OW7
Name:	3-ethoxybenzoic acid
Formula:	C9 H10 O3
SMILES:	C(c1cccc(c1)OCC)(O)=O
InChi:	InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-ethoxybenzoic acid

OWA

OWA
Name:	methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
Formula:	C8 H13 N O3
SMILES:	C1(N(C)CC(CC(OC)=O)C1)=O
InChi:	InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate

OZP

OZP
Name:	9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
Formula:	C24 H32 N8 O6
SMILES:	c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N)C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N
InChi:	InChI=1S/C24H32N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,2,4,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23-/m0/s1
Definition date:	2019-07-22
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine

P0V

P0V
Name:	9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
Formula:	C24 H28 N8 O6
SMILES:	c1c(cccc1C#CCN(CC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O
InChi:	InChI=1S/C24H28N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18+,19+,23+/m1/s1
Definition date:	2019-07-22
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine

AWL

AWL
Name:	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone
Formula:	C22 H29 Cl N2 O
SMILES:	Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4
InChi:	InChI=1S/C22H29ClN2O/c1-15-2-3-19(23)11-20(15)24-4-6-25(7-5-24)21(26)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3/t16-,17+,18-,22-
Definition date:	2018-11-30
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

AWO

AWO
Name:	N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea
Formula:	C25 H25 N9 O2 S
SMILES:	C=5N(C=CN(c4cc(Nc3ncc(c1ccc(cc1)NC(Nc2cc(CC)on2)=O)s3)ncn4)C=5)CC
InChi:	InChI=1S/C25H25N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-16H,3-4H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35)
Definition date:	2018-12-04
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea

MVE

MVE
Name:	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
Formula:	C30 H40 N6 O2
SMILES:	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3
InChi:	InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3
Definition date:	2019-10-24
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

NKJ

NKJ
Name:	(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one
Formula:	C19 H19 N5 O2
SMILES:	c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4
InChi:	InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1
Definition date:	2019-05-16
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one

UZ0

UZ0
Name:	2'-azido-2'-deoxyuridine
Formula:	C9 H11 N5 O5
SMILES:	N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
InChi:	InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2019-01-21
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2'-azido-2'-deoxyuridine

YYR

YYR
Name:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol
Formula:	C8 H15 N O5
SMILES:	O=C(NC1C(O)C(O)C(OC1)CO)C
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1
Definition date:	2012-12-18
Last modified:	2019-11-20
Release date:	2019-11-20
Identifier:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol

HLK

HLK
Name:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C13 H11 F4 N3
SMILES:	Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine

HLQ

HLQ
Name:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C15 H15 F4 N3
SMILES:	Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine

L1H

L1H
Name:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
Formula:	C23 H21 F N4 O2
SMILES:	CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(c2)c3cccnc3)nc4ccccc14
InChi:	InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)
Definition date:	2019-07-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide

<850 851 852 853 854 855 856857858 859 860 861 862 863 864 865 >

226707

數據於2024-10-30公開中

PDB statistics

PDBj update info

Contact PDBj

numon