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: 926 results BIRD

4M1

4M1
Name:	2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide
Formula:	C26 H22 Cl2 N6 O
SMILES:	c1ccc(cc1)C(c3nc2cc(c(cc2n3)C)C)CNC(c4c(cc(cc4Cl)n5cnnc5)Cl)=O
InChi:	InChI=1S/C26H22Cl2N6O/c1-15-8-22-23(9-16(15)2)33-25(32-22)19(17-6-4-3-5-7-17)12-29-26(35)24-20(27)10-18(11-21(24)28)34-13-30-31-14-34/h3-11,13-14,19H,12H2,1-2H3,(H,29,35)(H,32,33)/t19-/m0/s1
Definition date:	2015-04-14
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide

4OK

4OK
Name:	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide
Formula:	C24 H19 Cl2 N3 O3
SMILES:	c1(ccc2c(c1)c4c(n2)c(C(=O)N)cc(c3cc(Cl)c(cc3)Cl)c4)C(N5CCOCC5)=O
InChi:	InChI=1S/C24H19Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
Definition date:	2015-04-28
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide

4K6

4K6
Name:	N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide
Formula:	C20 H20 N6 O
SMILES:	O=C(c1ccc(cc1)n2cnnc2)NCCc3nc4c(n3)cc(c(c4)C)C
InChi:	InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25)
Definition date:	2015-03-26
Last modified:	2015-05-15
Release date:	2015-05-20
Identifier:	N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide

OE1

OE1
Name:	2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide
Formula:	C19 H23 N3 O2 S
SMILES:	CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3
InChi:	InChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)
Definition date:	2015-03-08
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide

6N4

6N4
Name:	2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL
Formula:	C9 H10 N2 O S
SMILES:	OCCSc1[nH]c2ccccc2n1
InChi:	InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
Definition date:	2015-03-03
Last modified:	2015-05-08
Release date:	2015-05-13
Identifier:	2-(1H-benzimidazol-2-ylsulfanyl)ethanol

3H6

3H6
Name:	N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
Formula:	C17 H12 F N5 O
SMILES:	Fc4ccc(c1nncc1C(=O)Nc3nc2ccccc2n3)cc4
InChi:	InChI=1S/C17H12FN5O/c18-11-7-5-10(6-8-11)15-12(9-19-23-15)16(24)22-17-20-13-3-1-2-4-14(13)21-17/h1-9H,(H,19,23)(H2,20,21,22,24)
Definition date:	2014-08-19
Last modified:	2015-04-03
Release date:	2015-04-08
Identifier:	N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

JSD

JSD
Name:	[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
Formula:	C21 H17 N2 O4 Ru S
SMILES:	O=C(NCC1SC(C(N1)C(=O)O)(C)C)CCC(=O)C2%11C8C9C%10C2[Ru]865489%10%11C3C7C6C5C34
InChi:	InChI=1S/C16H21N2O4S.C5H5.Ru/c1-16(2)14(15(21)22)18-13(23-16)9-17-12(20)8-7-11(19)10-5-3-4-6-10
Definition date:	2015-02-18
Last modified:	2015-03-13
Release date:	2015-03-18
Identifier:	[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

4CC

4CC
Name:	N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine
Formula:	C25 H25 N7 O3
SMILES:	n2(C)c(CNc1ccc(cc1)/C(N)=N)nc3cc(ccc23)C(N(c4ncccc4)CCC(=O)O)=O
InChi:	InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
Definition date:	2015-02-27
Last modified:	2015-03-06
Release date:	2015-03-11
Identifier:	N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine

3H5

3H5
Name:	N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
Formula:	C13 H13 N5 O
SMILES:	O=C(c1cn(nc1C)C)Nc3nc2ccccc2n3
InChi:	InChI=1S/C13H13N5O/c1-8-9(7-18(2)17-8)12(19)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16,19)
Definition date:	2014-08-19
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide

DOV

DOV
Name:	1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[D]imidazol-2-yl)quinolin-2(1H)-one
Formula:	C21 H37 F N6 O
SMILES:	FC1CCCC2NC(=O)C(C(N)C12)C3NC5C(N3)CC(N4CCN(CC4)C)CC5
InChi:	InChI=1S/C21H37FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h12-20,24-25H,2-11,23H2,1H3,(H,26,29)/t12-,13+,14-,15-,16-,17-,18+,19+,20-/m1/s1
Definition date:	2014-08-15
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	(3S,4R,4aS,5S,8aR)-4-amino-5-fluoro-3-[(2R,3aR,5R,7aR)-5-(4-methylpiperazin-1-yl)octahydro-1H-benzimidazol-2-yl]octahydroquinolin-2(1H)-one

3YZ

3YZ
Name:	[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
Formula:	C26 H30 N6 O3
SMILES:	O=C(c5cc4nc(c2cc1cccnc1n2CC3CC3)n(c4c(OC)c5)C)N6CCC(O)C(N)C6
InChi:	InChI=1S/C26H30N6O3/c1-30-23-19(10-17(12-22(23)35-2)26(34)31-9-7-21(33)18(27)14-31)29-25(30)20-11-16-4-3-8-28-24(16)32(20)13-15-5-6-15/h3-4,8,10-12,15,18,21,33H,5-7,9,13-14,27H2,1-2H3/t18-,21+/m0/s1
Definition date:	2014-12-10
Last modified:	2015-01-23
Release date:	2015-01-28
Identifier:	[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone

3Z0

3Z0
Name:	[(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone
Formula:	C24 H28 N6 O2
SMILES:	O=C(c4cc3nc(c2cc1cccnc1n2CC)n(c3c(OC)c4)C)N5CCCC(N)C5
InChi:	InChI=1S/C24H28N6O2/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3/t17-/m1/s1
Definition date:	2014-12-10
Last modified:	2015-01-23
Release date:	2015-01-28
Identifier:	[(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone

3RJ

3RJ
Name:	N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
Formula:	C22 H20 N8
SMILES:	n1c(nc4c(c1Nc2nnc(c2)C3CCC3)cccc4)Nc6ccc5ncnc5c6
InChi:	InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
Definition date:	2014-10-14
Last modified:	2015-01-09
Release date:	2015-01-14
Identifier:	N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

Y3M

Y3M
Name:	ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Formula:	C25 H22 N4 O4 S
SMILES:	O=C(OCC)c6c5N=C1C(=C(O)CCC1)C(c4oc(Sc2nc3c(n2)cccc3)cc4)c5cn6
InChi:	InChI=1S/C25H22N4O4S/c1-2-32-24(31)23-22-13(12-26-23)20(21-16(27-22)8-5-9-17(21)30)18-10-11-19(33-18)34-25-28-14-6-3-4-7-15(14)29-25/h3-4,6-7,10-12,20,26,30H,2,5,8-9H2,1H3,(H,28,29)/t20-/m1/s1
Definition date:	2014-09-02
Last modified:	2014-11-14
Release date:	2014-11-19
Identifier:	ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate

QMN

QMN
Name:	ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Formula:	C27 H24 N4 O4
SMILES:	O=C(OCC)c3c2NC1=C(C(=O)CCC1)C(c2cn3)c6cc(Oc5nc4ccccc4n5)ccc6
InChi:	InChI=1S/C27H24N4O4/c1-2-34-26(33)25-24-17(14-28-25)22(23-20(29-24)11-6-12-21(23)32)15-7-5-8-16(13-15)35-27-30-18-9-3-4-10-19(18)31-27/h3-5,7-10,13-14,22,28-29H,2,6,11-12H2,1H3,(H,30,31)/t22-/m0/s1
Definition date:	2014-09-05
Last modified:	2014-11-14
Release date:	2014-11-19
Identifier:	ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate

39O

39O
Name:	5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C10 H13 N3 O
SMILES:	O=C2N(c1cc(c(cc1N2C)N)C)C
InChi:	InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3
Definition date:	2014-07-11
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one

883

883
Name:	1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea
Formula:	C19 H16 F N7 O
SMILES:	Fc4cc(c1cc3nc(NC(=O)NCC)nc3c(c1)c2ncccn2)cnc4
InChi:	InChI=1S/C19H16FN7O/c1-2-22-19(28)27-18-25-15-8-11(12-6-13(20)10-21-9-12)7-14(16(15)26-18)17-23-4-3-5-24-17/h3-10H,2H2,1H3,(H3,22,25,26,27,28)
Definition date:	2014-04-01
Last modified:	2014-10-24
Release date:	2014-10-29
Identifier:	1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea

JA2

JA2
Name:	5-(1H-benzimidazol-2-yl)pentan-1-amine
Formula:	C12 H17 N3
SMILES:	n2c1ccccc1nc2CCCCCN
InChi:	InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)
Definition date:	2014-04-02
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	5-(1H-benzimidazol-2-yl)pentan-1-amine

37J

37J
Name:	2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
Formula:	C20 H11 F6 N5 O3 S
SMILES:	O=C(Nc3nc(C(=O)Nc2nc1ccc(cc1n2)C(F)(F)F)cs3)c4ccccc4OC(F)(F)F
InChi:	InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)
Definition date:	2014-07-01
Last modified:	2014-10-03
Release date:	2014-10-08
Identifier:	2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2SZ

2SZ
Name:	6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
Formula:	C32 H29 N7 O2
SMILES:	O=C(NO)c1cc(c(nc1)n2c3ccccc3nc2)c6ccc(C#Cc4ccc(nc4)CN5CCN(CC5)C)cc6
InChi:	InChI=1S/C32H29N7O2/c1-37-14-16-38(17-15-37)21-27-13-10-24(19-33-27)7-6-23-8-11-25(12-9-23)28-18-26(32(40)36-41)20-34-31(28)39-22-35-29-4-2-3-5-30(29)39/h2-5,8-13,18-20,22,41H,14-17,21H2,1H3,(H,36,40)
Definition date:	2014-01-27
Last modified:	2014-09-19
Release date:	2014-09-24
Identifier:	6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide

V1T

V1T
Name:	1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
Formula:	C10 H11 N3 O2
SMILES:	O=C(c1ccc2c(c1)N(C(=O)N2C)C)N
InChi:	InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
Definition date:	2014-08-30
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide

9F9

9F9
Name:	N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide
Formula:	C22 H26 N4 O3
SMILES:	O=C(c1ccccc1OC)Nc2cc4c(cc2N3CCCCC3)N(C(=O)N4C)C
InChi:	InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)
Definition date:	2014-08-30
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide

LWJ

LWJ
Name:	[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
Formula:	C20 H16 N6 O
SMILES:	O=C(c1c(N)n(nc1)c3cc2nc(nc2cc3)C)c5cc4ccccc4n5
InChi:	InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
Definition date:	2013-10-10
Last modified:	2014-09-12
Release date:	2014-09-17
Identifier:	[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone

YJD

YJD
Name:	4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL
Formula:	C16 H16 N2 O2
SMILES:	n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3
InChi:	InChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3
Definition date:	2011-05-19
Last modified:	2014-09-05
Identifier:	4-[2-(propan-2-yloxy)-1H-benzimidazol-1-yl]phenol

ZO9

ZO9
Name:	4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Formula:	C13 H13 N5 O
SMILES:	n1onc(N)c1c2nc4c(n2CC3CC3)cccc4
InChi:	InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
Definition date:	2013-08-22
Last modified:	2014-09-05
Release date:	2013-10-09
Identifier:	4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

<19 20 21 22 23 24 252627 28 29 30 31 32 33 34 >

225946

數據於2024-10-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon