Chemie Search results for query - Protein Data Bank Japan

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: 35504 results BIRD

731

731
Name:	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
Formula:	C19 H21 N5 O S
SMILES:	Cc1sc(c(C)n1)c2[nH]nc(c2)C(=O)N3CCN(CC3)c4ccccc4
InChi:	InChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22)
Definition date:	2016-08-18
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

G43

G43
Name:	[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate
Formula:	C29 H39 Cl N2 O9 S
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(OC)c(Cl)c2)NC(=O)O[CH]3CO[CH]4OCC[CH]34
InChi:	InChI=1S/C29H39ClN2O9S/c1-18(2)15-32(42(35,36)21-8-6-20(37-3)7-9-21)16-25(33)24(14-19-5-10-26(38-4)23(30)13-19)31-29(34)41-27-17-40-28-22(27)11-12-39-28/h5-10,13,18,22,24-25,27-28,33H,11-12,14-17H2,1-4H3,(H,31,34)/t22-,24-,25+,27-,28+/m0/s1
Definition date:	2016-06-03
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate

GK0

GK0
Name:	3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide
Formula:	C14 H12 N2 O7
SMILES:	Oc1cc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O
InChi:	InChI=1S/C14H12N2O7/c17-8-1-6(2-9(18)12(8)21)5-15-16-14(23)7-3-10(19)13(22)11(20)4-7/h1-5,17-22H,(H,16,23)/b15-5+
Definition date:	2015-11-17
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide

5UK

5UK
Name:	2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID
Formula:	C7 H9 N O6
SMILES:	OC(C(=N)C(C(O)=O)CC(CO)=O)=O
InChi:	InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1
Definition date:	2015-12-03
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	(2S,3E)-2-(3-hydroxy-2-oxopropyl)-3-iminobutanedioic acid

IT9

IT9
Name:	(-)-Isopiperitenone
Formula:	C10 H14 O
SMILES:	CC(=C)[CH]1CCC(=CC1=O)C
InChi:	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
Definition date:	2016-06-27
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	(6~{R})-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one

IWX

IWX
Name:	N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
Formula:	C18 H19 F N2 O2
SMILES:	O=C(Nc2cc(c1ccc(F)cc1)ccc2N)C3CCOCC3
InChi:	InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
Definition date:	2016-03-25
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide

NPO

NPO
Name:	P-NITROPHENOL
Formula:	C6 H5 N O3
SMILES:	O=[N+]([O-])c1ccc(O)cc1
InChi:	InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
Definition date:	1999-07-08
Last modified:	2016-08-23
Identifier:	4-nitrophenol

XI1

XI1
Name:	N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
Formula:	C14 H14 Cl F3 N2 O3 S
SMILES:	FC(F)(F)[S](=O)(=O)N[CH]1CC[CH](CC1)Oc2ccc(C#N)c(Cl)c2
InChi:	InChI=1S/C14H14ClF3N2O3S/c15-13-7-12(4-1-9(13)8-19)23-11-5-2-10(3-6-11)20-24(21,22)14(16,17)18/h1,4,7,10-11,20H,2-3,5-6H2/t10-,11-
Definition date:	2015-06-18
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide

L50

L50
Name:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid
Formula:	C15 H24 N O5 P
SMILES:	O=P(O)(O)CC(CC(=O)N(C)O)CCCc1ccc(cc1)C
InChi:	InChI=1S/C15H24NO5P/c1-12-6-8-13(9-7-12)4-3-5-14(11-22(19,20)21)10-15(17)16(2)18/h6-9,14,18H,3-5,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
Definition date:	2016-04-29
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid

L54

L54
Name:	{(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid
Formula:	C15 H21 F3 N O5 P
SMILES:	O=C(CC(CP(O)(O)=O)CCCc1ccc(cc1)C(F)(F)F)N(O)C
InChi:	InChI=1S/C15H21F3NO5P/c1-19(21)14(20)9-12(10-25(22,23)24)4-2-3-11-5-7-13(8-6-11)15(16,17)18/h5-8,12,21H,2-4,9-10H2,1H3,(H2,22,23,24)/t12-/m1/s1
Definition date:	2016-04-30
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	{(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid

L56

L56
Name:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
Formula:	C15 H24 N O5 P
SMILES:	O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc1)C
InChi:	InChI=1S/C15H24NO5P/c1-12-5-3-6-13(9-12)7-4-8-14(11-22(19,20)21)10-15(17)16(2)18/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
Definition date:	2016-05-03
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid

LC5

LC5
Name:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid
Formula:	C18 H24 N O5 P
SMILES:	O=C(CC(CP(O)(O)=O)CCCc2c1ccccc1ccc2)N(O)C
InChi:	InChI=1S/C18H24NO5P/c1-19(21)18(20)12-14(13-25(22,23)24)6-4-8-16-10-5-9-15-7-2-3-11-17(15)16/h2-3,5,7,9-11,14,21H,4,6,8,12-13H2,1H3,(H2,22,23,24)/t14-/m1/s1
Definition date:	2016-04-13
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid

LC7

LC7
Name:	[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
Formula:	C14 H21 F N O5 P
SMILES:	O=C(CC(CP(O)(O)=O)CCCc1cc(ccc1)F)N(O)C
InChi:	InChI=1S/C14H21FNO5P/c1-16(18)14(17)9-12(10-22(19,20)21)6-2-4-11-5-3-7-13(15)8-11/h3,5,7-8,12,18H,2,4,6,9-10H2,1H3,(H2,19,20,21)/t12-/m1/s1
Definition date:	2016-04-29
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid

58V

58V
Name:	(2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
Formula:	C23 H22 Cl N7 O2
SMILES:	c1cc(cc(c1C(N2CCOCC2)=O)Cl)Nc6c3n(c(cn3)c4cnnc4)cc(C5CC5)n6
InChi:	InChI=1S/C23H22ClN7O2/c24-18-9-16(3-4-17(18)23(32)30-5-7-33-8-6-30)28-21-22-25-12-20(15-10-26-27-11-15)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29)
Definition date:	2015-08-26
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	(2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone

58W

58W
Name:	N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
Formula:	C17 H16 Cl N O3
SMILES:	c3c(C1(CCC1)C(=O)Nc2cc(Cl)c(O)cc2O)cccc3
InChi:	InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)
Definition date:	2015-08-26
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide

6DA

6DA
Name:	N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
Formula:	C28 H25 N7 O S
SMILES:	C(CNc6nc5c(cc(n4cnc3cnc2c(cc(c1ccccc1)nc2)c34)cc5)s6)N7CCOCC7
InChi:	InChI=1S/C28H25N7OS/c1-2-4-19(5-3-1)23-15-21-24(16-30-23)31-17-25-27(21)35(18-32-25)20-6-7-22-26(14-20)37-28(33-22)29-8-9-34-10-12-36-13-11-34/h1-7,14-18H,8-13H2,(H,29,33)
Definition date:	2016-03-17
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine

6J8

6J8
Name:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid
Formula:	C15 H24 N O6 P
SMILES:	C(C(CC(=O)N(C)O)CCCc1ccc(OC)cc1)P(O)(O)=O
InChi:	InChI=1S/C15H24NO6P/c1-16(18)15(17)10-13(11-23(19,20)21)5-3-4-12-6-8-14(22-2)9-7-12/h6-9,13,18H,3-5,10-11H2,1-2H3,(H2,19,20,21)/t13-/m1/s1
Definition date:	2016-04-14
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid

6JB

6JB
Name:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid
Formula:	C15 H24 N O6 P
SMILES:	C(P(O)(=O)O)C(CC(=O)N(C)O)CCCc1cc(OC)ccc1
InChi:	InChI=1S/C15H24NO6P/c1-16(18)15(17)10-13(11-23(19,20)21)7-3-5-12-6-4-8-14(9-12)22-2/h4,6,8-9,13,18H,3,5,7,10-11H2,1-2H3,(H2,19,20,21)/t13-/m1/s1
Definition date:	2016-04-14
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid

6LB

6LB
Name:	4-ethylmorpholine
Formula:	C6 H13 N O
SMILES:	CCN1CCOCC1
InChi:	InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
Definition date:	2016-04-29
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	4-ethylmorpholine

6LR

6LR
Name:	morpholine
Formula:	C4 H9 N O
SMILES:	N1CCOCC1
InChi:	InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
Definition date:	2016-05-03
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	morpholine

6MY

6MY
Name:	(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol
Formula:	C15 H18 N2 O5
SMILES:	c1(ccccc1)c3nc(C2OC(CO)C(O)C(C2O)O)nc3
InChi:	InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1
Definition date:	2016-05-10
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	(1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol

6NE

6NE
Name:	(1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol
Formula:	C19 H20 N2 O5
SMILES:	c2(cc1ccccc1cc2)c4nc(C3OC(CO)C(O)C(C3O)O)nc4
InChi:	InChI=1S/C19H20N2O5/c22-9-14-15(23)16(24)17(25)18(26-14)19-20-8-13(21-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2,(H,20,21)/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2016-05-11
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	(1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol

6QA

6QA
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{R},3~{R},5~{R},6~{S})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate
Formula:	C32 H54 N7 O21 P3 S
SMILES:	C[CH]1O[CH](OCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)[CH](O)C[CH]1O
InChi:	InChI=1S/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
Definition date:	2016-05-23
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{R},3~{R},5~{R},6~{S})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate

6RC

6RC
Name:	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
Formula:	C26 H27 N7 O3
SMILES:	COCCn1cc(cn1)c2cnc(N3CCOCC3)c4nc(COc5ccc6ccccc6n5)cn24
InChi:	InChI=1S/C26H27N7O3/c1-34-11-10-32-16-20(14-28-32)23-15-27-25(31-8-12-35-13-9-31)26-29-21(17-33(23)26)18-36-24-7-6-19-4-2-3-5-22(19)30-24/h2-7,14-17H,8-13,18H2,1H3
Definition date:	2016-06-01
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

6RQ

6RQ
Name:	5,6-dimethyl-1~{H}-benzimidazol-2-amine
Formula:	C9 H11 N3
SMILES:	Cc1cc2[nH]c(N)nc2cc1C
InChi:	InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
Definition date:	2016-06-08
Last modified:	2016-08-18
Release date:	2016-08-23
Identifier:	5,6-dimethyl-1~{H}-benzimidazol-2-amine

<988 989 990 991 992 993 994995996 997 998 999 1000 1001 1002 1003 >

224931

PDB entries from 2024-09-11

PDB statistics

PDBj update info

Contact PDBj

numon