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: 5215 results BIRD

HXQ

HXQ
Name:	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
Formula:	C24 H36 N8 O2 S
SMILES:	CCN(C)c1nc(nc2ccc(cc12)[S](=O)(=O)Nc3c(C)nn(C)c3C)N(C)C4CCN(C)CC4
InChi:	InChI=1S/C24H36N8O2S/c1-8-30(5)23-20-15-19(35(33,34)28-22-16(2)27-32(7)17(22)3)9-10-21(20)25-24(26-23)31(6)18-11-13-29(4)14-12-18/h9-10,15,18,28H,8,11-14H2,1-7H3
Definition date:	2019-01-02
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide

HZ8

HZ8
Name:	~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Formula:	C18 H27 N5
SMILES:	CCN(C)c1nc(nc2ccccc12)N(C)C3CCN(C)CC3
InChi:	InChI=1S/C18H27N5/c1-5-22(3)17-15-8-6-7-9-16(15)19-18(20-17)23(4)14-10-12-21(2)13-11-14/h6-9,14H,5,10-13H2,1-4H3
Definition date:	2019-01-04
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine

OAJ

OAJ
Name:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	OC(C1COCCN1C(Cc2ccc(cc2)Oc3cc(C)c(cc3)C#N)=O)=O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m1/s1
Definition date:	2019-06-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

OMJ

OMJ
Name:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	O=C(C1COCCN1C(=O)Cc3ccc(Oc2cc(C)c(cc2)C#N)cc3)O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m0/s1
Definition date:	2019-06-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

O6Y

O6Y
Name:	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
Formula:	C20 H20 N2 O3
SMILES:	c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CCOCC3
InChi:	InChI=1S/C20H20N2O3/c1-15-12-19(7-4-17(15)14-21)25-18-5-2-16(3-6-18)13-20(23)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3
Definition date:	2019-06-14
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile

R2Y

R2Y
Name:	N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
Formula:	C27 H37 F2 N5 O2
SMILES:	c1cnc(c2ccc(cc12)CNC(=O)C3CC(CN3C(=O)C(NC4CCCCC4)CC(C)C)(F)F)N
InChi:	InChI=1S/C27H37F2N5O2/c1-17(2)12-22(33-20-6-4-3-5-7-20)26(36)34-16-27(28,29)14-23(34)25(35)32-15-18-8-9-21-19(13-18)10-11-31-24(21)30/h8-11,13,17,20,22-23,33H,3-7,12,14-16H2,1-2H3,(H2,30,31)(H,32,35)/t22-,23+/m1/s1
Definition date:	2020-01-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide

R3A

R3A
Name:	1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide
Formula:	C19 H25 Cl N6 O4 S
SMILES:	C(=O)(C(NS(c1ccc2c(cnc(NC(=N)N)c2c1)Cl)(=O)=O)C(C)C)N3CCOCC3
InChi:	InChI=1S/C19H25ClN6O4S/c1-11(2)16(18(27)26-5-7-30-8-6-26)25-31(28,29)12-3-4-13-14(9-12)17(24-19(21)22)23-10-15(13)20/h3-4,9-11,16,25H,5-8H2,1-2H3,(H4,21,22,23,24)/t16-/m1/s1
Definition date:	2020-01-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide

N3W

N3W
Name:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline
Formula:	C8 H7 Cl N4
SMILES:	Nc1cccc(c1Cl)c2[nH]cnn2
InChi:	InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
Definition date:	2019-11-11
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline

LUS

LUS
Name:	4-(4-ethylcyclohexyl)morpholine
Formula:	C12 H23 N O
SMILES:	CC[CH]1CC[CH](CC1)N2CCOCC2
InChi:	InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-(4-ethylcyclohexyl)morpholine

LWD

LWD
Name:	~{N}-quinolin-6-ylbenzamide
Formula:	C16 H12 N2 O
SMILES:	O=C(Nc1ccc2ncccc2c1)c3ccccc3
InChi:	InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19)
Definition date:	2019-03-15
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	~{N}-quinolin-6-ylbenzamide

M16

M16
Name:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C18 H19 N3
SMILES:	NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:	InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

OJ5

OJ5
Name:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Formula:	C16 H15 Cl N4 O
SMILES:	Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:	InChI=1S/C16H15ClN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
Definition date:	2020-03-13
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

OS7

OS7
Name:	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3ccccn3)CN)c4
InChi:	InChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OSD

OSD
Name:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN
InChi:	InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine

OSG

OSG
Name:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C
InChi:	InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine

OSJ

OSJ
Name:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N
InChi:	InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine

OSY

OSY
Name:	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C17 H17 N3
SMILES:	NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
InChi:	InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine

OT4

OT4
Name:	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C18 H19 N3
SMILES:	NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C
InChi:	InChI=1S/C18H19N3/c1-12-9-18(20)21-17-11-15(5-6-16(12)17)14-4-2-3-13(10-14)7-8-19/h2-6,9-11H,7-8,19H2,1H3,(H2,20,21)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

OU1

OU1
Name:	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
Formula:	C21 H23 N3 O
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OCC4CC4)CN
InChi:	InChI=1S/C21H23N3O/c1-13-8-21(23)24-19-10-16(4-6-18(13)19)15-5-7-20(17(9-15)11-22)25-12-14-2-3-14/h4-10,14H,2-3,11-12,22H2,1H3,(H2,23,24)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine

OU4

OU4
Name:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O2
SMILES:	c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4
InChi:	InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OU7

OU7
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUA

OUA
Name:	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
Formula:	C16 H16 N4
SMILES:	Cc3c2ccc(c1cc(CN)cnc1)cc2nc(c3)N
InChi:	InChI=1S/C16H16N4/c1-10-4-16(18)20-15-6-12(2-3-14(10)15)13-5-11(7-17)8-19-9-13/h2-6,8-9H,7,17H2,1H3,(H2,18,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine

OUG

OUG
Name:	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
Formula:	C17 H17 N3
SMILES:	c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3
InChi:	InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20)
Definition date:	2019-07-03
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine

OUJ

OUJ
Name:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:	C21 H20 N4 O S
SMILES:	c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C
InChi:	InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine

OUM

OUM
Name:	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
Formula:	C25 H22 N4 O
SMILES:	c21c(c(cc(n1)N)C)ccc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N
InChi:	InChI=1S/C25H22N4O/c1-16-10-25(28)29-23-12-20(6-8-22(16)23)19-7-9-24(21(11-19)14-27)30-15-18-4-2-17(13-26)3-5-18/h2-12H,14-15,27H2,1H3,(H2,28,29)
Definition date:	2019-07-05
Last modified:	2020-04-24
Release date:	2020-04-29
Identifier:	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile

<88 89 90 91 92 93 949596 97 98 99 100 101 102 103 >

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon