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: 35611 results BIRD

8XY

8XY
Name:	6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
Formula:	C17 H11 Br N2 O S
SMILES:	c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4
InChi:	InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
Definition date:	2017-03-18
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

DKU

DKU
Name:	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:	C25 H20 N2 O2
SMILES:	Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
InChi:	InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3
Definition date:	2019-08-09
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

DL0

DL0
Name:	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
Formula:	C25 H19 Cl N2 O2
SMILES:	Cc1ccc2n(c(CCC3=COc4ccc(Cl)cc4C3=O)nc2c1)c5ccccc5
InChi:	InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
Definition date:	2019-08-09
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one

GN6

GN6
Name:	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
Formula:	C12 H8 Cl2 N4
SMILES:	n12nc(nc1cccc2c3cccc(c3Cl)Cl)N
InChi:	InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
Definition date:	2019-10-25
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine

Y35

Y35
Name:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)
Formula:	C44 H46 B N4 O5
SMILES:	O=C(N2CCC(c1cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5(Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8)CN)O
InChi:	InChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1
Definition date:	2019-05-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)

X77

X77
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Formula:	C27 H33 N5 O2
SMILES:	C(=O)(N(C(c1cccnc1)C(NC2CCCCC2)=O)c3ccc(C(C)(C)C)cc3)c4cncn4
InChi:	InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide

K0B

K0B
Name:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
Formula:	C27 H22 F2 N8 O
SMILES:	Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)c5ccc6ccccc6c5)N7CCOCC7)nc2c1F
InChi:	InChI=1S/C27H22F2N8O/c28-19-7-8-20-23(22(19)29)33-21(32-20)14-30-25-24-26(35-27(34-25)36-9-11-38-12-10-36)37(15-31-24)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15H,9-12,14H2,(H,32,33)(H,30,34,35)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine

K0E

K0E
Name:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
Formula:	C23 H19 F3 N8 O
SMILES:	Fc1cccc(c1)n2cnc3c(NCc4[nH]c5c(F)c(F)ccc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)
Definition date:	2019-04-11
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine

SZY

SZY
Name:	N-(4-methylpyridin-3-yl)acetamide
Formula:	C8 H10 N2 O
SMILES:	c1(ccncc1NC(C)=O)C
InChi:	InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-methylpyridin-3-yl)acetamide

T0J

T0J
Name:	N~1~-phenylpiperidine-1,4-dicarboxamide
Formula:	C13 H17 N3 O2
SMILES:	C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
InChi:	InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N~1~-phenylpiperidine-1,4-dicarboxamide

T0S

T0S
Name:	N-[(4-sulfamoylphenyl)methyl]acetamide
Formula:	C9 H12 N2 O3 S
SMILES:	c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O
InChi:	InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(4-sulfamoylphenyl)methyl]acetamide

T0V

T0V
Name:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
Formula:	C12 H12 F N O
SMILES:	c2(CNCc1cc(F)ccc1)occc2
InChi:	InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine

T0Y

T0Y
Name:	1-[(thiophen-3-yl)methyl]piperidin-4-ol
Formula:	C10 H15 N O S
SMILES:	C1CN(CCC1O)Cc2cscc2
InChi:	InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(thiophen-3-yl)methyl]piperidin-4-ol

T1J

T1J
Name:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
Formula:	C14 H13 N3 O
SMILES:	c3(NCc1c(O)cccc1)nc2ccccc2n3
InChi:	InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol

T1M

T1M
Name:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol
Formula:	C13 H19 N O
SMILES:	c2(CN1C(C)C(CCC1)O)ccccc2
InChi:	InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol

T1S

T1S
Name:	4-[(3-chlorophenyl)methyl]morpholine
Formula:	C11 H14 Cl N O
SMILES:	C1CN(CCO1)Cc2cccc(Cl)c2
InChi:	InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	4-[(3-chlorophenyl)methyl]morpholine

T54

T54
Name:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
Formula:	C10 H13 N O S
SMILES:	c1c(csc1)C2C(C(N)=O)CCC2
InChi:	InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide

T5D

T5D
Name:	[1-(pyridin-2-yl)cyclopentyl]methanol
Formula:	C11 H15 N O
SMILES:	c1ccc(nc1)C2(CCCC2)CO
InChi:	InChI=1S/C11H15NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8,13H,2-3,6-7,9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[1-(pyridin-2-yl)cyclopentyl]methanol

T5G

T5G
Name:	4-bromobenzene-1-sulfonamide
Formula:	C6 H6 Br N O2 S
SMILES:	c1c(ccc(c1)Br)S(N)(=O)=O
InChi:	InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	4-bromobenzene-1-sulfonamide

T5V

T5V
Name:	pyrimidin-5-amine
Formula:	C4 H5 N3
SMILES:	n1cncc(N)c1
InChi:	InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	pyrimidin-5-amine

T5Y

T5Y
Name:	pyridin-2-ol
Formula:	C5 H5 N O
SMILES:	c1nc(O)ccc1
InChi:	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	pyridin-2-ol

T6J

T6J
Name:	2-[(methylsulfonyl)methyl]-1H-benzimidazole
Formula:	C9 H10 N2 O2 S
SMILES:	n1c(nc2ccccc12)CS(C)(=O)=O
InChi:	InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[(methylsulfonyl)methyl]-1H-benzimidazole

L5E

L5E
Name:	[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
Formula:	C11 H14 Br2 N O2
SMILES:	[NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O
InChi:	InChI=1S/C11H13Br2NO2/c12-8-2-3-9(13)7-5-11(15,16)10(14)4-1-6(7)8/h2-3,10,15-16H,1,4-5,14H2/p+1/t10-/m0/s1
Definition date:	2019-07-22
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

LWA

LWA
Name:	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
Formula:	C12 H14 N2 O3
SMILES:	NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1
InChi:	InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

M3A

M3A
Name:	5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide
Formula:	C16 H13 N7 O
SMILES:	c1(ccc(C#N)cc1)Nc3nc(N)n(C(=O)Nc2ccccc2)n3
InChi:	InChI=1S/C16H13N7O/c17-10-11-6-8-13(9-7-11)19-15-21-14(18)23(22-15)16(24)20-12-4-2-1-3-5-12/h1-9H,(H,20,24)(H3,18,19,21,22)
Definition date:	2019-03-19
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide

<753 754 755 756 757 758 759760761 762 763 764 765 766 767 768 >

225946

數據於2024-10-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon