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: 45162 results BIRD

4SH

4SH
Name:	N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:	C22 H27 N3 O3 S
SMILES:	O=C(c1c3c(sc1NC(=O)CN2CCOCC2)CCCC3)NCc4ccccc4
InChi:	InChI=1S/C22H27N3O3S/c26-19(15-25-10-12-28-13-11-25)24-22-20(17-8-4-5-9-18(17)29-22)21(27)23-14-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,27)(H,24,26)
Definition date:	2011-08-22
Last modified:	2012-07-27
Identifier:	N-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

NC8

NC8
Name:	(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
Formula:	C30 H34 Br N4 O3
SMILES:	Brc1ccc(cc1)C(=O)OCC4=CC[NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)cc3)C4
InChi:	InChI=1S/C30H33BrN4O3/c31-26-7-5-25(6-8-26)30(37)38-20-23-13-14-34-17-24(15-23)19-35(18-22-3-11-28(33)12-4-22)29(36)16-21-1-9-27(32)10-2-21/h1-13,24,34H,14-20,32-33H2/p+1/t24-/m1/s1
Definition date:	2011-08-08
Last modified:	2012-07-27
Identifier:	(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium

NC9

NC9
Name:	(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
Formula:	C23 H31 N4 O2
SMILES:	O=C(N(CC1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(N)cc3
InChi:	InChI=1S/C23H30N4O2/c24-21-5-1-17(2-6-21)12-23(29)27(14-18-3-7-22(25)8-4-18)15-20-11-19(16-28)9-10-26-13-20/h1-9,20,26,28H,10-16,24-25H2/p+1/t20-/m1/s1
Definition date:	2011-08-08
Last modified:	2012-07-27
Identifier:	(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium

LNE

LNE
Name:	N-ethyl-L-leucinamide
Formula:	C8 H18 N2 O
SMILES:	O=C(NCC)C(N)CC(C)C
InChi:	InChI=1S/C8H18N2O/c1-4-10-8(11)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-/m0/s1
Definition date:	2011-08-03
Last modified:	2012-07-27
Identifier:	N-ethyl-L-leucinamide

LNM

LNM
Name:	N-methyl-L-leucinamide
Formula:	C7 H16 N2 O
SMILES:	O=C(NC)C(N)CC(C)C
InChi:	InChI=1S/C7H16N2O/c1-5(2)4-6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1
Definition date:	2011-08-03
Last modified:	2012-07-27
Identifier:	N-methyl-L-leucinamide

7SP

7SP
Name:	(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide
Formula:	C19 H17 N3 O2
SMILES:	O=C(NN=Cc2c1ccccc1c(O)cc2)C(c3ccccc3)N
InChi:	InChI=1S/C19H17N3O2/c20-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(23)16-9-5-4-8-15(14)16/h1-12,18,23H,20H2,(H,22,24)/b21-12+/t18-/m1/s1
Definition date:	2011-08-11
Last modified:	2012-07-27
Identifier:	(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide

854

854
Name:	ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Formula:	C15 H21 N O4 S
SMILES:	O=S(=O)(N1C(C(=O)OCC)CCCC1)Cc2ccccc2
InChi:	InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-/m0/s1
Definition date:	2012-06-20
Last modified:	2012-07-27
Identifier:	ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate

861

861
Name:	3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Formula:	C25 H33 N O7 S
SMILES:	O=S(=O)(N2C(C(=O)OCCCc1cc(OC)c(OC)c(OC)c1)CCCC2)Cc3ccccc3
InChi:	InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1
Definition date:	2012-07-19
Last modified:	2012-07-27
Identifier:	3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate

QAB

QAB
Name:	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Formula:	C9 H11 N O2 S
SMILES:	O=C(O)c1c2c(sc1N)CCCC2
InChi:	InChI=1S/C9H11NO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4,10H2,(H,11,12)
Definition date:	2011-08-22
Last modified:	2012-07-27
Identifier:	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

MK5

MK5
Name:	2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
Formula:	C27 H37 Cl2 N3 O7 S
SMILES:	O=S(=O)(N(CC(C)CC)CC(O)C(NC(=O)OCCNC(=O)C(Cl)Cl)Cc1ccccc1)c2ccc(OC)cc2
InChi:	InChI=1S/C27H37Cl2N3O7S/c1-4-19(2)17-32(40(36,37)22-12-10-21(38-3)11-13-22)18-24(33)23(16-20-8-6-5-7-9-20)31-27(35)39-15-14-30-26(34)25(28)29/h5-13,19,23-25,33H,4,14-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,23-,24+/m0/s1
Definition date:	2012-02-03
Last modified:	2012-07-27
Identifier:	2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate

QMP

QMP
Name:	cyclohexyl methylphosphonate
Formula:	C7 H15 O3 P
SMILES:	O=P(O)(OC1CCCCC1)C
InChi:	InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)
Definition date:	2011-11-23
Last modified:	2012-07-27
Identifier:	cyclohexyl hydrogen (R)-methylphosphonate

D1F

D1F
Name:	1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
Formula:	C17 H24 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C#CCCCCC)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C17H24N2O7/c1-2-3-4-5-6-7-10-8-19(17(25)18-15(10)24)16-14(23)13(22)12(21)11(9-20)26-16/h8,11-14,16,20-23H,2-5,9H2,1H3,(H,18,24,25)/t11-,12-,13+,14-,16-/m1/s1
Definition date:	2012-04-10
Last modified:	2012-07-20
Identifier:	1-(beta-D-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione

D1I

D1I
Name:	3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one
Formula:	C17 H24 N2 O7
SMILES:	O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCCCC
InChi:	InChI=1S/C17H24N2O7/c1-2-3-4-5-10-6-9-7-19(17(24)18-15(9)25-10)16-14(23)13(22)12(21)11(8-20)26-16/h6-7,11-14,16,20-23H,2-5,8H2,1H3/t11-,12-,13+,14-,16-/m1/s1
Definition date:	2012-04-10
Last modified:	2012-07-20
Identifier:	3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one

D1J

D1J
Name:	1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
Formula:	C15 H20 N2 O7
SMILES:	O=C1NC(=O)N(C=C1C#CCCC)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C15H20N2O7/c1-2-3-4-5-8-6-17(15(23)16-13(8)22)14-12(21)11(20)10(19)9(7-18)24-14/h6,9-12,14,18-21H,2-3,7H2,1H3,(H,16,22,23)/t9-,10-,11+,12-,14-/m1/s1
Definition date:	2012-04-10
Last modified:	2012-07-20
Identifier:	1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione

D1K

D1K
Name:	3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one
Formula:	C15 H20 N2 O7
SMILES:	O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCC
InChi:	InChI=1S/C15H20N2O7/c1-2-3-8-4-7-5-17(15(22)16-13(7)23-8)14-12(21)11(20)10(19)9(6-18)24-14/h4-5,9-12,14,18-21H,2-3,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
Definition date:	2012-04-12
Last modified:	2012-07-20
Identifier:	3-(beta-D-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3H)-one

0PF

0PF
Name:	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
Formula:	C20 H21 N3 O2 S
SMILES:	O=S2(=O)c1cnn(c1c4c(N2C)ccc(c3ccc(cc3)CC)c4)CC
InChi:	InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3
Definition date:	2012-04-05
Last modified:	2012-07-20
Identifier:	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide

0F3

0F3
Name:	4-(sulfamoylamino)benzenesulfonamide
Formula:	C6 H9 N3 O4 S2
SMILES:	O=S(=O)(N)c1ccc(NS(=O)(=O)N)cc1
InChi:	InChI=1S/C6H9N3O4S2/c7-14(10,11)6-3-1-5(2-4-6)9-15(8,12)13/h1-4,9H,(H2,7,10,11)(H2,8,12,13)
Definition date:	2012-01-03
Last modified:	2012-07-20
Identifier:	4-(sulfamoylamino)benzenesulfonamide

R31

R31
Name:	(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide
Formula:	C28 H47 N5 O6
SMILES:	O=C(N)C(C)(C)CNC(=O)C(C(C)C)CC(O)C(N)CN2CC(=O)N(c1ccccc1OCCCOC)CC2
InChi:	InChI=1S/C28H47N5O6/c1-19(2)20(26(36)31-18-28(3,4)27(30)37)15-23(34)21(29)16-32-11-12-33(25(35)17-32)22-9-6-7-10-24(22)39-14-8-13-38-5/h6-7,9-10,19-21,23,34H,8,11-18,29H2,1-5H3,(H2,30,37)(H,31,36)/t20-,21-,23-/m0/s1
Definition date:	2012-05-30
Last modified:	2012-07-20
Identifier:	(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide (non-preferred name)

R32

R32
Name:	(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide
Formula:	C26 H42 Cl N5 O4
SMILES:	O=C(N)C(C)(C)CNC(=O)C(C(C)C)CC(O)C(N)CN1C(CN(C(=O)C1)c2ccccc2Cl)(C)C
InChi:	InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1
Definition date:	2012-05-30
Last modified:	2012-07-20
Identifier:	(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide (non-preferred name)

0EZ

0EZ
Name:	tert-butyl [(1S,2S)-1-benzyl-2-hydroxy-3-{[(8S,11R)-8-[(1R)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
Formula:	C33 H48 N4 O6
SMILES:	O=C(OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC
InChi:	InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28+,29-/m0/s1
Definition date:	2008-09-14
Last modified:	2012-07-19
Identifier:	tert-butyl [(2S,3R)-4-{[(8S,11S)-8-[(2S)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

RRA

RRA
Name:	prop-2-yn-1-amine
Formula:	C3 H5 N
SMILES:	C#CCN
InChi:	InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
Definition date:	2011-04-25
Last modified:	2012-07-17
Identifier:	prop-2-yn-1-amine

C22

C22
Name:	3-chloro-L-alanine
Formula:	C3 H6 Cl N O2
SMILES:	ClCC(N)C(=O)O
InChi:	InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
Definition date:	2011-04-25
Last modified:	2012-07-17
Identifier:	3-chloro-L-alanine

NNJ

NNJ
Name:	3-(aminomethyl)-1-methylpyridinium
Formula:	C7 H11 N2
SMILES:	NCc1ccc[n+](c1)C
InChi:	InChI=1S/C7H11N2/c1-9-4-2-3-7(5-8)6-9/h2-4,6H,5,8H2,1H3/q+1
Definition date:	2011-03-17
Last modified:	2012-07-17
Identifier:	3-(aminomethyl)-1-methylpyridinium

NNK

NNK
Name:	4-(aminomethyl)-1-methylpyridinium
Formula:	C7 H11 N2
SMILES:	NCc1cc[n+](cc1)C
InChi:	InChI=1S/C7H11N2/c1-9-4-2-7(6-8)3-5-9/h2-5H,6,8H2,1H3/q+1
Definition date:	2011-03-17
Last modified:	2012-07-17
Identifier:	4-(aminomethyl)-1-methylpyridinium

NNT

NNT
Name:	3-(aminomethyl)-4-chloro-1-methylpyridinium
Formula:	C7 H10 Cl N2
SMILES:	Clc1cc[n+](cc1CN)C
InChi:	InChI=1S/C7H10ClN2/c1-10-3-2-7(8)6(4-9)5-10/h2-3,5H,4,9H2,1H3/q+1
Definition date:	2011-03-17
Last modified:	2012-07-17
Identifier:	3-(aminomethyl)-4-chloro-1-methylpyridinium

<1473 1474 1475 1476 1477 1478 147914801481 1482 1483 1484 1485 1486 1487 1488 >

234136

건을2025-04-02부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon