Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 39984 results BIRD

K1Y

K1Y
Name:	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
Formula:	C12 H12 N2 O2 S
SMILES:	n1c(C)sc(c1c2ccccc2)NC(OC)=O
InChi:	InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate

K24

K24
Name:	N,2-dimethyl-1,3-thiazole-5-carboxamide
Formula:	C6 H8 N2 O S
SMILES:	n1cc(C(NC)=O)sc1C
InChi:	InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N,2-dimethyl-1,3-thiazole-5-carboxamide

K2G

K2G
Name:	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
Formula:	C8 H10 Cl N3 O
SMILES:	n1c(c(cnc1C(C)C)Cl)C(=O)N
InChi:	InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide

K2M

K2M
Name:	4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C10 H13 N3 O3
SMILES:	N2(CCN(C(=O)c1occc1)CC2)C(N)=O
InChi:	InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(furan-2-carbonyl)piperazine-1-carboxamide

K2P

K2P
Name:	2-(trifluoromethoxy)benzoic acid
Formula:	C8 H5 F3 O3
SMILES:	c1ccc(c(c1)OC(F)(F)F)C(O)=O
InChi:	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-(trifluoromethoxy)benzoic acid

K2S

K2S
Name:	N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
Formula:	C7 H13 N3 O2 S
SMILES:	n1nc(C)c(c1C)S(N(C)C)(=O)=O
InChi:	InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

K2V

K2V
Name:	(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
Formula:	C12 H13 N3
SMILES:	n2cc(c1ccc(cc1)C(N)C)cnc2
InChi:	InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine

K31

K31
Name:	2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
Formula:	C11 H13 N3
SMILES:	n2nc(c(c1ccccc1N)c2C)C
InChi:	InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline

K3A

K3A
Name:	N-(5-methyl-1H-pyrazol-3-yl)acetamide
Formula:	C6 H9 N3 O
SMILES:	n1nc(NC(C)=O)cc1C
InChi:	InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-(5-methyl-1H-pyrazol-3-yl)acetamide

K3D

K3D
Name:	4-acetyl-N-ethylpiperazine-1-carboxamide
Formula:	C9 H17 N3 O2
SMILES:	N1(CCN(CC1)C(=O)C)C(NCC)=O
InChi:	InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-acetyl-N-ethylpiperazine-1-carboxamide

K3J

K3J
Name:	N-ethyl-6-methylpyridazin-3-amine
Formula:	C7 H11 N3
SMILES:	n1nc(NCC)ccc1C
InChi:	InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-ethyl-6-methylpyridazin-3-amine

K3M

K3M
Name:	2-fluoro-4-methylbenzamide
Formula:	C8 H8 F N O
SMILES:	c1(C(=O)N)ccc(cc1F)C
InChi:	InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-fluoro-4-methylbenzamide

K3P

K3P
Name:	5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
Formula:	C8 H7 Cl N4 O
SMILES:	n1c(c(cnc1)Cl)Oc2cnn(C)c2
InChi:	InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine

K3S

K3S
Name:	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine
Formula:	C6 H12 N4
SMILES:	n1(nnc(c1)CNCC)C
InChi:	InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine

K3V

K3V
Name:	7,8-dimethoxyphthalazin-1(2H)-one
Formula:	C10 H10 N2 O3
SMILES:	N1N=Cc2c(C1=O)c(c(OC)cc2)OC
InChi:	InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	7,8-dimethoxyphthalazin-1(2H)-one

K3Y

K3Y
Name:	1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
Formula:	C10 H16 N4 O
SMILES:	NC(=O)c2c(C1CCCNC1)nn(C)c2
InChi:	InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide

K41

K41
Name:	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide
Formula:	C6 H11 N5 O
SMILES:	n1nn(C)nc1NC(=O)C(C)C
InChi:	InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide

K5P

K5P
Name:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Formula:	C27 H27 N O4
SMILES:	c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C
InChi:	InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

K5S

K5S
Name:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
Formula:	C29 H27 Cl F N O5
SMILES:	Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O
InChi:	InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid

L5P

L5P
Name:	(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
Formula:	C11 H23 N2 O9 P
SMILES:	NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
InChi:	InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
Definition date:	2014-11-17
Last modified:	2018-12-10
Release date:	2015-01-14
Identifier:	(2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name)

HX3

HX3
Name:	(3,4-dichlorophenyl)hydrazine
Formula:	C6 H6 Cl2 N2
SMILES:	c1(Cl)c(Cl)ccc(c1)NN
InChi:	InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
Definition date:	2018-02-06
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(3,4-dichlorophenyl)hydrazine

SJ5

SJ5
Name:	(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
Formula:	C6 H11 N O4
SMILES:	C1NCC(C(O)=O)C(C1O)O
InChi:	InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1
Definition date:	2017-12-27
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid

9P6

9P6
Name:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide
Formula:	C25 H32 N4 O3 S
SMILES:	COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C
InChi:	InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30)
Definition date:	2018-06-17
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide

9RQ

9RQ
Name:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
Formula:	C18 H17 O8 P S
SMILES:	C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O
InChi:	InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1
Definition date:	2017-07-04
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	[2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid

9RW

9RW
Name:	(2~{S})-2-phenylpropanoic acid
Formula:	C9 H10 O2
SMILES:	C[CH](C(O)=O)c1ccccc1
InChi:	InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
Definition date:	2017-07-05
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	(2~{S})-2-phenylpropanoic acid

<848 849 850 851 852 853 854855856 857 858 859 860 861 862 863 >

224004

건을2024-08-21부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon