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SZK

SZK
Name:	(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
Formula:	C14 H15 N3 O
SMILES:	CCn1c(NCc2occc2)nc3ccccc13
InChi:	InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
Synonyms:	1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine

SZN

SZN
Name:	N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
Formula:	C14 H16 N2 O3
SMILES:	Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
InChi:	InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
Synonyms:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide
Definition date:	2020-12-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide

EY0

EY0
Name:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
Formula:	C21 H24 F3 N5 O5 S
SMILES:	CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4
InChi:	InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1
Definition date:	2020-02-18
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione

RXN

RXN
Name:	(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
Formula:	C24 H22 Cl N5 O4
SMILES:	CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:	InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
Synonyms:	6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Definition date:	2020-10-31
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide

U8M

U8M
Name:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
Formula:	C11 H9 F2 N5
SMILES:	n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N
InChi:	InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)
Definition date:	2020-05-04
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

ODG

ODG
Name:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Formula:	C20 H21 N5 O
SMILES:	c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N
InChi:	InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2
Definition date:	2019-06-20
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

UZD

UZD
Name:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
Formula:	C15 H29 N O7
SMILES:	O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
InChi:	InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
Definition date:	2020-06-08
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside

VC7

VC7
Name:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
Formula:	C11 H16 N5 O7 P
SMILES:	C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O
InChi:	InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-07-27
Last modified:	2020-12-18
Release date:	2020-12-23
Identifier:	5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine

4DG

4DG
Name:	2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
Formula:	C8 H12 N5 O6 P
SMILES:	NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1
InChi:	InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
Synonyms:	acyclic guanosine monophosphate
Definition date:	2009-11-09
Last modified:	2020-12-12
Identifier:	2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate

WB1

WB1
Name:	6-methyl-1H-indole-3-carboxylic acid
Formula:	C10 H9 N O2
SMILES:	c1c(C)ccc2c(C(O)=O)cnc12
InChi:	InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
Definition date:	2020-10-05
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-methyl-1H-indole-3-carboxylic acid

X6Y

X6Y
Name:	2-O-sulfo-alpha-L-fucopyranose
Formula:	C6 H12 O8 S
SMILES:	C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:	InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose
Definition date:	2020-12-01
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-deoxy-2-O-sulfo-alpha-L-galactopyranose

VXM

VXM
Name:	4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 F N2 O3
SMILES:	C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O
InChi:	InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

X7V

X7V
Name:	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Formula:	C32 H27 N3 O3
SMILES:	c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
InChi:	InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
Definition date:	2020-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide

VXP

VXP
Name:	4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 Cl N2 O3
SMILES:	c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl
InChi:	InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

VXS

VXS
Name:	4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O
InChi:	InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

VXV

VXV
Name:	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H15 Cl N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl
InChi:	InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

WTA

WTA
Name:	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
Formula:	C12 H18 N5 O7 P
SMILES:	C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3
InChi:	InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Definition date:	2020-11-06
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine

W4V

W4V
Name:	6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
Formula:	C8 H9 N5
SMILES:	n3n2c(c1CCCc1nc2nc3)N
InChi:	InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine

W4Y

W4Y
Name:	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C11 H15 N3 O2 S
SMILES:	C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S
InChi:	InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

W51

W51
Name:	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
Formula:	C11 H15 Cl N4
SMILES:	C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3
InChi:	InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine

W57

W57
Name:	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine
Formula:	C10 H10 N6 O2
SMILES:	c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC
InChi:	InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine

W5A

W5A
Name:	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine
Formula:	C10 H10 N6 S
SMILES:	c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3
InChi:	InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine

W5D

W5D
Name:	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C13 H18 N4 O
SMILES:	c2(c1ccnc1ncn2)N3CCOCCCCC3
InChi:	InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

W5G

W5G
Name:	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C13 H16 N4
SMILES:	n2c1nccc1c(nc2)N4CCCC3(CC3)C4
InChi:	InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

W5P

W5P
Name:	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C11 H13 F N4
SMILES:	c1nc3nccc3c(n1)N2CCCC(F)C2
InChi:	InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

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