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: 39822 results BIRD

8WL

8WL
Name:	N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
Formula:	C21 H24 F N7 O5 S
SMILES:	CC(C)c1noc(n1)C2CCN(CC2)c3ncnc(Nc4ccc(cc4F)[S](C)(=O)=O)c3[N+]([O-])=O
InChi:	InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
Synonyms:	AR231453
Definition date:	2021-12-27
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

CI8

CI8
Name:	2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid
Formula:	C29 H36 F2 N3 O7 S
SMILES:	COc1cc2sc(CNC(=O)C3(CC(O)=O)Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+](C)(CCO)CCO
InChi:	InChI=1S/C29H35F2N3O7S/c1-34(5-7-35,6-8-36)4-3-9-41-24-12-22-25(13-23(24)40-2)42-26(33-22)17-32-28(39)29(16-27(37)38)14-18-10-20(30)21(31)11-19(18)15-29/h10-13,35-36H,3-9,14-17H2,1-2H3,(H-,32,37,38,39)/p+1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-[[2-[[[5,6-bis(fluoranyl)-2-(2-hydroxy-2-oxoethyl)-1,3-dihydroinden-2-yl]carbonylamino]methyl]-6-methoxy-1,3-benzothiazol-5-yl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium

I8T

I8T
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C16 H14 N6 O5
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O
InChi:	InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m0/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-L-tyrosine
Definition date:	2022-06-16
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

I9P

I9P
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C16 H14 N6 O5
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(O)cc3)C(O)=O
InChi:	InChI=1S/C16H14N6O5/c17-16-21-12-11(14(25)22-16)18-6-10(19-12)13(24)20-9(15(26)27)5-7-1-3-8(23)4-2-7/h1-4,6,9,23H,5H2,(H,20,24)(H,26,27)(H3,17,19,21,22,25)/t9-/m1/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
Definition date:	2022-06-17
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

IEK

IEK
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid
Formula:	C16 H14 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)/t9-/m0/s1
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid

IEW

IEW
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid
Formula:	C16 H14 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)
Synonyms:	(2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-phenylalanine
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid

IEZ

IEZ
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid
Formula:	C16 H13 F N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccc(F)cc3)C(O)=O
InChi:	InChI=1S/C16H13FN6O4/c17-8-3-1-7(2-4-8)5-9(15(26)27)21-13(24)10-6-19-11-12(20-10)22-16(18)23-14(11)25/h1-4,6,9H,5H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t9-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-3-(4-fluorophenyl)propanoic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid

IF4

IF4
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid
Formula:	C15 H12 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](C(O)=O)c3ccccc3
InChi:	InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid

IFH

IFH
Name:	(2R)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid
Formula:	C15 H12 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)NC(C(O)=O)c3ccccc3
InChi:	InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)
Synonyms:	(R)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-2-phenylacetic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-2-phenyl-ethanoic acid

IFQ

IFQ
Name:	(2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid
Formula:	C17 H16 N6 O4
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CCc3ccccc3)C(O)=O
InChi:	InChI=1S/C17H16N6O4/c18-17-22-13-12(15(25)23-17)19-8-11(20-13)14(24)21-10(16(26)27)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,21,24)(H,26,27)(H3,18,20,22,23,25)/t10-/m0/s1
Synonyms:	(S)-2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)-4-phenylbutanoic acid
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{S})-2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]-4-phenyl-butanoic acid

IFX

IFX
Name:	2-azanyl-4-oxidanylidene-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3H-pteridine-7-carboxamide
Formula:	C16 H16 N6 O3
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CO)Cc3ccccc3
InChi:	InChI=1S/C16H16N6O3/c17-16-21-13-12(15(25)22-16)18-7-11(20-13)14(24)19-10(8-23)6-9-4-2-1-3-5-9/h1-5,7,10,23H,6,8H2,(H,19,24)(H3,17,20,21,22,25)/t10-/m0/s1
Synonyms:	(S)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-oxo-3,4-dihydropteridine-7-carboxamide
Definition date:	2022-06-28
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-azanyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]-3~{H}-pteridine-7-carboxamide

AY3

AY3
Name:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid
Formula:	C16 H11 N O3
SMILES:	OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23
InChi:	InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
Definition date:	2021-12-06
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid

HZO

HZO
Name:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
Formula:	C19 H17 N O
SMILES:	CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
InChi:	InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
Definition date:	2021-03-05
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

7VK

7VK
Name:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
Formula:	C28 H20 N2 O7
SMILES:	OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
InChi:	InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
Definition date:	2021-09-09
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid

C0I

C0I
Name:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
Formula:	C40 H46 N6 O2
SMILES:	O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67
InChi:	InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide

8CQ

8CQ
Name:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
Formula:	C26 H17 N O8
SMILES:	OC(=O)c1cc(ccc1O)N2[CH](c3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5ccccc5
InChi:	InChI=1S/C26H17NO8/c28-19-9-7-16(11-18(19)25(32)33)27-21(14-6-8-17-15(10-14)12-35-26(17)34)20(23(30)24(27)31)22(29)13-4-2-1-3-5-13/h1-11,21,28,30H,12H2,(H,32,33)/t21-/m1/s1
Definition date:	2021-10-08
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid

8KZ

8KZ
Name:	3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol
Formula:	C15 H14 O3
SMILES:	COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
InChi:	InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
Synonyms:	Pinostilbene
Definition date:	2021-12-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol

O2U

O2U
Name:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid
Formula:	C6 H7 N O5
SMILES:	O=C1C(CC(=O)O)CC(=O)N1O
InChi:	InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2022-04-19
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid

8QU

8QU
Name:	(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid
Formula:	C12 H12 N4 O5
SMILES:	OC(=O)[CH]1CCCN(C1)c2ccc(c3nonc23)[N+]([O-])=O
InChi:	InChI=1S/C12H12N4O5/c17-12(18)7-2-1-5-15(6-7)8-3-4-9(16(19)20)11-10(8)13-21-14-11/h3-4,7H,1-2,5-6H2,(H,17,18)/t7-/m0/s1
Definition date:	2021-12-24
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(3~{S})-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid

Q3O

Q3O
Name:	3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C6 H5 N O4
SMILES:	OC1=C(NC=CC1=O)C(=O)O
InChi:	InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)
Definition date:	2022-06-01
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

PJN

PJN
Name:	(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
Formula:	C23 H16 N2 O6
SMILES:	Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:	InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-10-12-16(13-11-14)25(30)31)19(22(28)23(24)29)21(27)15-6-2-1-3-7-15/h1-13,20,26,28H/t20-/m1/s1
Definition date:	2020-04-22
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one

PQO

PQO
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Formula:	C6 H5 Br N2 O3
SMILES:	OC1=C(NC(Br)=CC1=O)C(N)=O
InChi:	InChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10)
Definition date:	2022-05-29
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide

QEO

QEO
Name:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C17 H23 N5 O7
SMILES:	OC1C=CC(NCc2cn(c3N=C(N)NC(=O)c32)C2OC(CO)C(O)C2O)C1O
InChi:	InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
Definition date:	2022-02-22
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

R6O

R6O
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile
Formula:	C6 H3 Br N2 O2
SMILES:	OC1=C(C#N)NC(Br)=CC1=O
InChi:	InChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10)
Definition date:	2022-06-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile

R6X

R6X
Name:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Formula:	C6 H4 Br N O4
SMILES:	OC1=C(NC(Br)=CC1=O)C(=O)O
InChi:	InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)
Definition date:	2022-06-21
Last modified:	2022-12-16
Release date:	2022-12-21
Identifier:	6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid

<220 221 222 223 224 225 226227228 229 230 231 232 233 234 235 >

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon