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SDE

SDE
Name:	(S,S)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
Formula:	C14 H22 N5 O8 P
SMILES:	n3c1c(ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(O)(O)O
InChi:	InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8-,9-,10+,11+/m0/s1
Definition date:	2014-01-07
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	(3S,4S)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)

RBD

RBD
Name:	(R,R)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
Formula:	C14 H22 N5 O8 P
SMILES:	n3c1c(ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(O)(O)O
InChi:	InChI=1S/C14H22N5O8P/c20-7-1-11(27-10(7)4-26-28(23,24)25)19-6-17-12-13(15-5-16-14(12)19)18-2-8(21)9(22)3-18/h5-11,20-25,28H,1-4H2/t7-,8+,9+,10+,11+/m0/s1
Definition date:	2014-01-07
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	(3R,4R)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)

SNF

SNF
Name:	(N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt
Formula:	C15 H16 N4 Ni
SMILES:	c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5
InChi:	InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14
Definition date:	2013-06-12
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	{N,N'-propane-1,2-diylbis[1-(pyridin-2-yl-kappaN)methanimine-kappaN]}nickel

2TT

2TT
Name:	2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Formula:	C16 H14 Cl N3 O2
SMILES:	O=C(Nc1nccc(c1)NC(=O)c2ccccc2Cl)C3CC3
InChi:	InChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)16(22)19-11-7-8-18-14(9-11)20-15(21)10-5-6-10/h1-4,7-10H,5-6H2,(H2,18,19,20,21,22)
Definition date:	2014-01-30
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide

3NZ

3NZ
Name:	3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine
Formula:	C20 H25 N7 O5
SMILES:	O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)Cc4ccc(OC)cc4
InChi:	InChI=1S/C20H25N7O5/c1-31-11-4-2-10(3-5-11)6-12(21)19(30)26-14-13(7-28)32-20(16(14)29)27-9-25-15-17(22)23-8-24-18(15)27/h2-5,8-9,12-14,16,20,28-29H,6-7,21H2,1H3,(H,26,30)(H2,22,23,24)/t12-,13+,14+,16+,20+/m0/s1
Definition date:	2014-05-14
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine

EFA

EFA
Name:	5'-deoxy-2-ethynyl-5'-fluoroadenosine
Formula:	C12 H12 F N5 O3
SMILES:	FCC3OC(n2cnc1c(nc(C#C)nc12)N)C(O)C3O
InChi:	InChI=1S/C12H12FN5O3/c1-2-6-16-10(14)7-11(17-6)18(4-15-7)12-9(20)8(19)5(3-13)21-12/h1,4-5,8-9,12,19-20H,3H2,(H2,14,16,17)/t5-,8-,9-,12-/m1/s1
Definition date:	2014-02-18
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	5'-deoxy-2-ethynyl-5'-fluoroadenosine

J99

J99
Name:	(10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
Formula:	C23 H24 F N5 O2
SMILES:	Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)C)c(nc4)N)C5CC5)C)C
InChi:	InChI=1S/C23H24FN5O2/c1-12-17-9-15(24)6-7-16(17)23(30)28(2)11-18-20(21(13-4-5-13)27-29(18)3)14-8-19(31-12)22(25)26-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,25,26)/t12-/m1/s1
Definition date:	2014-03-13
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	(10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one

PUW

PUW
Name:	N-(PHOSPHONOACETYL)-PUTRESCINE
Formula:	C6 H15 N2 O4 P
SMILES:	O=C(NCCCCN)CP(=O)(O)O
InChi:	InChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12)
Definition date:	2011-11-21
Last modified:	2014-05-22
Identifier:	{2-[(4-aminobutyl)amino]-2-oxoethyl}phosphonic acid

IKY

IKY
Name:	N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE
Formula:	C11 H7 F3 N2 O3
SMILES:	FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO
InChi:	InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17)
Definition date:	2011-11-09
Last modified:	2014-05-22
Identifier:	N-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

RUI

RUI
Name:	Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
Formula:	C18 H7 N2 O2 Ru
SMILES:	[Ru]\|1\|2\|3\|45(\|[C-]#[O+])(\|C6C\|1=C\|2C\|3=C\|46)\|n7cccc8ccc9c(=O)[nH]cc5c9c78
InChi:	InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12
Definition date:	2013-07-23
Last modified:	2014-05-16
Release date:	2014-05-21

RXO

RXO
Name:	4-arsanyl-2-nitrophenol
Formula:	C6 H6 As N O3
SMILES:	O=[N+]([O-])c1cc(ccc1O)[AsH2]
InChi:	InChI=1S/C6H6AsNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
Definition date:	2014-02-04
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	4-arsanyl-2-nitrophenol

NJD

NJD
Name:	N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
Formula:	C21 H20 N8 O
SMILES:	n2cc1cc(ccc1n2)Nc3nc(nc(OC)n3)NCCc5c4ccccc4nc5
InChi:	InChI=1S/C21H20N8O/c1-30-21-27-19(22-9-8-13-11-23-18-5-3-2-4-16(13)18)26-20(28-21)25-15-6-7-17-14(10-15)12-24-29-17/h2-7,10-12,23H,8-9H2,1H3,(H,24,29)(H2,22,25,26,27,28)
Definition date:	2013-11-18
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-(1H-indazol-5-yl)-N'-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine

NZ2

NZ2
Name:	N-(methylsulfonyl)-N-phenyl-L-alanine
Formula:	C10 H13 N O4 S
SMILES:	O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C
InChi:	InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-(methylsulfonyl)-N-phenyl-L-alanine

NZ3

NZ3
Name:	N-(methylsulfonyl)-N-phenyl-D-alanine
Formula:	C10 H13 N O4 S
SMILES:	O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C
InChi:	InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m1/s1
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-(methylsulfonyl)-N-phenyl-D-alanine

NZ9

NZ9
Name:	3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
Formula:	C8 H9 N O4 S2
SMILES:	O=S(=O)(c1c(scc1)C(=O)O)NC2CC2
InChi:	InChI=1S/C8H9NO4S2/c10-8(11)7-6(3-4-14-7)15(12,13)9-5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid

ZB6

ZB6
Name:	(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	O=C(N1C(C(=O)O)CCCC1C)CCS
InChi:	InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

2SH

2SH
Name:	N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide
Formula:	C21 H25 Cl F N5 O3
SMILES:	Fc1ccc(cc1Cl)C(NC(=O)N3Cc2nc(ncc2CC3)NC4CCOCC4)CO
InChi:	InChI=1S/C21H25ClFN5O3/c22-16-9-13(1-2-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1
Definition date:	2014-01-16
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide

2YP

2YP
Name:	(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
Formula:	C19 H30 N2 O12
SMILES:	O=C(O)C(OC3C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C2OC(OC2)C3NC(=O)C)C
InChi:	InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1
Definition date:	2014-04-24
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid (non-preferred name)

2YR

2YR
Name:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C11 H18 N3 O7 P S
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCS)C=C1)CC2O
InChi:	InChI=1S/C11H18N3O7PS/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9(12-2-4-23)13-11(14)16/h1,3,7-8,10,15,23H,2,4-6H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
Definition date:	2014-04-28
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	2'-deoxy-N-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)

30J

30J
Name:	6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Formula:	C26 H23 Cl N6
SMILES:	Clc1cc4c(cc1)c(nnc4N3CC(N(c2ncc(C#N)cc2)CC3)C)Cc5ccccc5
InChi:	InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
Definition date:	2014-05-12
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

1RF

1RF
Name:	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)
Formula:	C4 H13 O7 V
SMILES:	O[V](OCCOCCO)(O)(O)O
InChi:	InChI=1S/C4H9O3.4H2O.V/c5-1-3-7-4-2-6
Definition date:	2013-05-07
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)

1RQ

1RQ
Name:	cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone
Formula:	C30 H28 N6 O2
SMILES:	O=C(N6CCCC(Nc5nc(n3c4cc(O)ccc4nc3c2cc1ccccc1cc2)ccn5)C6)C7CC7
InChi:	InChI=1S/C30H28N6O2/c37-24-11-12-25-26(17-24)36(28(33-25)22-10-7-19-4-1-2-5-21(19)16-22)27-13-14-31-30(34-27)32-23-6-3-15-35(18-23)29(38)20-8-9-20/h1-2,4-5,7,10-14,16-17,20,23,37H,3,6,8-9,15,18H2,(H,31,32,34)/t23-/m1/s1
Definition date:	2013-05-09
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone

1T4

1T4
Name:	N-(pyren-1-yl)acetamide
Formula:	C18 H13 N O
SMILES:	O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
InChi:	InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
Definition date:	2013-05-25
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-(pyren-1-yl)acetamide

1U1

1U1
Name:	5-chloro-3-sulfamoylthiophene-2-carboxylic acid
Formula:	C5 H4 Cl N O4 S2
SMILES:	O=S(=O)(c1c(sc(Cl)c1)C(=O)O)N
InChi:	InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	5-chloro-3-sulfamoylthiophene-2-carboxylic acid

1U3

1U3
Name:	N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
Formula:	C13 H11 Cl N2 O4
SMILES:	O=C(O)CNC(=O)c2c(onc2c1c(Cl)cccc1)C
InChi:	InChI=1S/C13H11ClN2O4/c1-7-11(13(19)15-6-10(17)18)12(16-20-7)8-4-2-3-5-9(8)14/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
Definition date:	2013-06-05
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine

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