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: 35338 results BIRD

4RZ

4RZ
Name:	N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide
Formula:	C15 H18 Cl N3 O S
SMILES:	O=C(NC2CC1C(N=C(SC1)N)CC2)c3cc(Cl)ccc3
InChi:	InChI=1S/C15H18ClN3OS/c16-11-3-1-2-9(6-11)14(20)18-12-4-5-13-10(7-12)8-21-15(17)19-13/h1-3,6,10,12-13H,4-5,7-8H2,(H2,17,19)(H,18,20)/t10-,12+,13-/m1/s1
Definition date:	2015-05-15
Last modified:	2015-06-05
Release date:	2015-06-10
Identifier:	N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide

3VB

3VB
Name:	D-Threitol
Formula:	C4 H10 O4
SMILES:	OCC(O)C(O)CO
InChi:	InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
Definition date:	2014-11-12
Last modified:	2015-06-01
Release date:	2014-12-10
Identifier:	(2R,3R)-butane-1,2,3,4-tetrol

DTL

DTL
Name:	L-TREITOL
Formula:	C4 H10 O4
SMILES:	C(C(C(CO)O)O)O
InChi:	InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1
Definition date:	2002-07-03
Last modified:	2015-06-01
Identifier:	(2S,3S)-butane-1,2,3,4-tetrol

NKG

NKG
Name:	N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine
Formula:	C18 H14 N2 O4
SMILES:	O=C(NCC(=O)O)c1nc(ccc1O)c3c2ccccc2ccc3
InChi:	InChI=1S/C18H14N2O4/c21-15-9-8-14(20-17(15)18(24)19-10-16(22)23)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,21H,10H2,(H,19,24)(H,22,23)
Definition date:	2014-06-10
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine

M3O

M3O
Name:	3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate)
Formula:	C16 H23 N6 O9 P S
SMILES:	P(OCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)OC(=O)C(CCSC)NC=O)(O)(=O)O
InChi:	InChI=1S/C16H23N6O9PS/c1-33-3-2-8(21-7-23)16(25)31-12-9(4-29-32(26,27)28)30-15(11(12)24)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,24H,2-4H2,1H3,(H,21,23)(H2,17,18,19)(H2,26,27,28)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2015-04-06
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate)

3X7

3X7
Name:	3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Formula:	C23 H21 N5
SMILES:	N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)CN4CCCCC4)c5
InChi:	InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)
Definition date:	2014-12-03
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

3XK

3XK
Name:	N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Formula:	C19 H13 N5 O
SMILES:	O=C(Nc4cccc(c2cc3c1c(cnc(C#N)c1)nc3nc2)c4)C
InChi:	InChI=1S/C19H13N5O/c1-11(25)23-14-4-2-3-12(5-14)13-6-17-16-7-15(8-20)21-10-18(16)24-19(17)22-9-13/h2-7,9-10H,1H3,(H,22,24)(H,23,25)
Definition date:	2014-12-05
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide

3XL

3XL
Name:	3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Formula:	C17 H10 N4 O
SMILES:	N#Cc4ncc2c(c1cc(cnc1n2)c3ccccc3O)c4
InChi:	InChI=1S/C17H10N4O/c18-7-11-6-13-14-5-10(12-3-1-2-4-16(12)22)8-20-17(14)21-15(13)9-19-11/h1-6,8-9,22H,(H,20,21)
Definition date:	2014-12-05
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

40P

40P
Name:	Pinnatoxin A
Formula:	C41 H61 N O9
SMILES:	O=C(O)C8=CC3C1(C(=NCC(C)C(C)C1)CCC/C(=C)CC7OC6(OC2(OC(CCC2)CC45OC3C(O4)C(O)C(C)C5)CC6)C(O)(CC7)C)CC8
InChi:	InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1
Definition date:	2015-01-06
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-20,29-diene-29-carboxylic acid (non-preferred name)

41J

41J
Name:	Pinnatoxin G
Formula:	C42 H63 N O7
SMILES:	O6C78OC1(OC(CCC1(O)C)CC(=CCCC2=NCC(C)C(C)CC23CCC(C=C)=CC3C5OC4(OC5C(O)C(C)C4)CC6CCC7)C)CC8
InChi:	InChI=1S/C42H63NO7/c1-7-30-13-17-39-22-27(3)29(5)25-43-34(39)12-8-10-26(2)20-31-14-16-38(6,45)42(47-31)19-18-40(50-42)15-9-11-32(46-40)24-41-23-28(4)35(44)37(49-41)36(48-41)33(39)21-30/h7,10,21,27-29,31-33,35-37,44-45H,1,8-9,11-20,22-25H2,2-6H3/b26-10+/t27-,28+,29-,31-,32+,33+,35+,36-,37+,38+,39+,40+,41+,42+/m0/s1
Definition date:	2015-01-12
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	(1R,3R,7R,10R,11R,14S,16E,23R,24S,26R,31S,32S,33R,34R,35R)-29-ethenyl-11,16,23,24,35-pentamethyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-16,20,29-triene-11,34-diol (non-preferred name)

48G

48G
Name:	N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(naphthalen-1-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Formula:	C61 H106 N2 O10
SMILES:	O=C(OCC1OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C1O)Nc3c2ccccc2ccc3
InChi:	InChI=1S/C61H106N2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(65)62-52(56(66)53(64)45-36-34-32-30-28-16-14-12-10-8-6-4-2)47-71-60-59(69)58(68)57(67)54(73-60)48-72-61(70)63-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,64,66-69H,3-37,45-48H2,1-2H3,(H,62,65)(H,63,70)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1
Definition date:	2015-02-12
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	N-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(naphthalen-1-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide

GWX

GWX
Name:	(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID
Formula:	C26 H46 N4 O4
SMILES:	CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)NC(=O)N[CH](CCCCN)C(O)=O
InChi:	InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-,19+,20-,21+,26+/m1/s1
Definition date:	2015-03-27
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-oxidanylidene-1-[[(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]carbamoylamino]hexanoic acid

4EJ

4EJ
Name:	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
Formula:	C20 H15 N5
SMILES:	c1(ccc(cc1)c3n2nc(ccc2nc3)NCc4ccccc4)C#N
InChi:	InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24)
Definition date:	2015-03-09
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4EK

4EK
Name:	6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
Formula:	C21 H18 F N5
SMILES:	c1(cccc(c1)C5CCCN5c4nn3c(ncc3c2ncccc2)cc4)F
InChi:	InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1
Definition date:	2015-03-10
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine

4F6

4F6
Name:	4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
Formula:	C23 H18 F N5 O
SMILES:	c5(cc(C4N(c3ccc1n(c(cn1)c2ccc(cc2)C#N)n3)CCOC4)ccc5)F
InChi:	InChI=1S/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2/t21-/m0/s1
Definition date:	2015-03-16
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile

4L4

4L4
Name:	Hygromycin A
Formula:	C23 H29 N O12
SMILES:	CC(=O)C1OC(C(C1O)O)Oc2c(cc(cc2)[C@H]=C(C(NC4C(C3OCOC3C(O)C4O)O)=O)C)O
InChi:	InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14-,15+,16+,17+,18+,19-,20-,21+,23-/m1/s1
Definition date:	2015-04-06
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	(2E)-3-{4-[(6-deoxy-beta-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aR,4S,5R,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]prop-2-enamide

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

4M8

4M8
Name:	(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid
Formula:	C5 H12 N O5 P
SMILES:	O=P(CCC(C(O)=O)N)(O)OC
InChi:	InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Definition date:	2015-04-15
Last modified:	2015-05-29
Release date:	2015-06-03
Identifier:	(2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid

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

TI9

TI9
Name:	3-[(2S)-pyrrolidin-2-ylethynyl]pyridine
Formula:	C11 H12 N2
SMILES:	C1CCNC1C#Cc2cnccc2
InChi:	InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1
Definition date:	2015-05-13
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	3-[(2S)-pyrrolidin-2-ylethynyl]pyridine

0RW

0RW
Name:	3-methyl-2H-indazole
Formula:	C8 H8 N2
SMILES:	n1c2ccccc2c(n1)C
InChi:	InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
Definition date:	2012-05-10
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	3-methyl-2H-indazole

1WA

1WA
Name:	2-amino-8-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium
Formula:	C10 H16 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC([n+]2c1NC(=NC(O)=[n+]1cc2)N)CC3O
InChi:	InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H4,11,13,17,18,19,20)/p+2/t5-,6+,7+/m0/s1
Definition date:	2013-06-28
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	2-amino-8-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium

A5V

A5V
Name:	(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
Formula:	C16 H25 N O2
SMILES:	O(c1cc(ccc1)C(O)CCN)CC2CCCCC2
InChi:	InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2/t16-/m0/s1
Definition date:	2015-01-07
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	(1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

A8V

A8V
Name:	(1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
Formula:	C16 H24 O3
SMILES:	OC(CCO)c2cc(OCC1CCCCC1)ccc2
InChi:	InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m0/s1
Definition date:	2015-04-27
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	(1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol

A9V

A9V
Name:	(1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
Formula:	C16 H24 O3
SMILES:	OC(c1cccc(c1)OCC2CCCCC2)CCO
InChi:	InChI=1S/C16H24O3/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16-18H,1-3,5-6,9-10,12H2/t16-/m1/s1
Definition date:	2015-04-27
Last modified:	2015-05-22
Release date:	2015-05-27
Identifier:	(1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol

<1060 1061 1062 1063 1064 1065 106610671068 1069 1070 1071 1072 1073 1074 1075 >

223532

건을2024-08-07부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon