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PDB Info pages Status search Chemie search: 44329 results BIRD

L4H

L4H
Name:	farnesyl dihydroxybenzoate
Formula:	C22 H30 O4
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
InChi:	InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+
Definition date:	2019-07-19
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	3,4-bis(oxidanyl)-5-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid

MXK

MXK
Name:	(2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e
Formula:	C18 H21 N7 O2
SMILES:	Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2
InChi:	InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m0/s1
Synonyms:	2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide
Definition date:	2019-10-29
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide

K8N

K8N
Name:	(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
Formula:	C22 H23 Br N6 O2
SMILES:	Nc1nc2cc(CC[CH]3C[CH]([CH](O)[CH]3O)n4ccc5c(N)ncnc45)ccc2cc1Br
InChi:	InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
Synonyms:	JNJ45031882
Definition date:	2019-05-02
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

N9W

N9W
Name:	4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
Formula:	C20 H21 N3 O2
SMILES:	CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2C1
InChi:	InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
Definition date:	2019-11-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide

MQH

MQH
Name:	Bottromycin A2
Formula:	C42 H62 N8 O7 S
SMILES:	COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](C(C)C)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4
InChi:	InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1
Definition date:	2019-10-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-2,8,11-tris(oxidanylidene)-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

MQW

MQW
Name:	(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C38 H54 N8 O9 S
SMILES:	CC(C)[CH]1NC(=O)[CH]2CCCN2C(=O)CN=C(N[CH](C(C)C)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CC(O)=O)C4=N[CH](CS4)C(O)=O)[CH](NC1=O)C(C)C
InChi:	InChI=1S/C38H54N8O9S/c1-19(2)29-32(39-17-27(47)46-14-10-13-26(46)34(51)45-31(21(5)6)36(53)44-29)43-30(20(3)4)35(52)40-23(15-22-11-8-7-9-12-22)33(50)41-24(16-28(48)49)37-42-25(18-56-37)38(54)55/h7-9,11-12,19-21,23-26,29-31H,10,13-18H2,1-6H3,(H,39,43)(H,40,52)(H,41,50)(H,44,53)(H,45,51)(H,48,49)(H,54,55)/t23-,24+,25-,26-,29-,30-,31-/m0/s1
Definition date:	2019-10-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

MQZ

MQZ
Name:	Bottromycin A2 derivative
Formula:	C42 H62 N8 O8 S2
SMILES:	COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](CC[S](C)=O)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4
InChi:	InChI=1S/C42H62N8O8S2/c1-24-16-19-50-29(51)23-44-35(33(41(3,4)5)49-36(53)27(17-21-60(10)57)45-38(55)32(24)50)48-34(42(6,7)8)39(56)47-31(25(2)26-14-12-11-13-15-26)37(54)46-28(22-30(52)58-9)40-43-18-20-59-40/h11-15,18,20,24-25,27-28,31-34H,16-17,19,21-23H2,1-10H3,(H,44,48)(H,45,55)(H,46,54)(H,47,56)(H,49,53)/t24-,25+,27+,28-,31+,32+,33-,34-,60?/m1/s1
Definition date:	2019-10-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-9-(2-methylsulfinylethyl)-2,8,11-tris(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

MRB

MRB
Name:	Bottromycin A2 derivative
Formula:	C42 H62 N8 O7 S2
SMILES:	COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](CCSC)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4
InChi:	InChI=1S/C42H62N8O7S2/c1-24-16-19-50-29(51)23-44-35(33(41(3,4)5)49-36(53)27(17-20-58-10)45-38(55)32(24)50)48-34(42(6,7)8)39(56)47-31(25(2)26-14-12-11-13-15-26)37(54)46-28(22-30(52)57-9)40-43-18-21-59-40/h11-15,18,21,24-25,27-28,31-34H,16-17,19-20,22-23H2,1-10H3,(H,44,48)(H,45,55)(H,46,54)(H,47,56)(H,49,53)/t24-,25+,27+,28-,31+,32+,33-,34-/m1/s1
Definition date:	2019-10-21
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-9-(2-methylsulfanylethyl)-2,8,11-tris(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

O0Q

O0Q
Name:	~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
Formula:	C13 H14 N4 O
SMILES:	O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35
InChi:	InChI=1S/C13H14N4O/c18-12(14-1-3-17-4-2-15-16-17)13-9-6-5-7(9)11(13)8(5)10(6)13/h2,4-11H,1,3H2,(H,14,18)/t5-,6+,7-,8+,9+,10-,11+,13+
Definition date:	2020-01-14
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide

OSZ

OSZ
Name:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:	C32 H41 N7 O3
SMILES:	Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N4CCNCC4)c5ccccc5
InChi:	InChI=1S/C32H41N7O3/c33-29-27(22-36-39(29)26-9-5-2-6-10-26)31(41)35-21-24-11-14-25(15-12-24)30(40)37-28(16-13-23-7-3-1-4-8-23)32(42)38-19-17-34-18-20-38/h2,5-6,9-12,14-15,22-23,28,34H,1,3-4,7-8,13,16-21,33H2,(H,35,41)(H,37,40)/t28-/m0/s1
Definition date:	2020-04-03
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

OUQ

OUQ
Name:	(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
Formula:	C12 H16 F N O
SMILES:	CC1(C)CO[CH](CN1)c2cccc(F)c2
InChi:	InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	(2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine

OUW

OUW
Name:	~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
Formula:	C8 H11 N3 O
SMILES:	CNC(=O)c1cc(NC)ccn1
InChi:	InChI=1S/C8H11N3O/c1-9-6-3-4-11-7(5-6)8(12)10-2/h3-5H,1-2H3,(H,9,11)(H,10,12)
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-methyl-4-(methylamino)pyridine-2-carboxamide

OUZ

OUZ
Name:	~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
Formula:	C15 H24 N2 O
SMILES:	CCNCCN1C[CH](OC[CH]1C)c2ccccc2
InChi:	InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine

OW8

OW8
Name:	~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:	C8 H11 N3 O
SMILES:	CNC(=O)c1n[nH]c2CCCc12
InChi:	InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11)
Definition date:	2020-04-06
Last modified:	2020-07-10
Release date:	2020-07-15
Identifier:	~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

SKV

SKV
Name:	2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
Formula:	C28 H28 F4 N6 O4
SMILES:	CC(C)[CH](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N2CCC3(CC2)N(C(=O)N(C)C3=O)c4ccc5n[nH]cc5c4
InChi:	InChI=1S/C28H28F4N6O4/c1-15(2)22(34-23(39)19-13-17(28(30,31)32)4-6-20(19)29)24(40)37-10-8-27(9-11-37)25(41)36(3)26(42)38(27)18-5-7-21-16(12-18)14-33-35-21/h4-7,12-15,22H,8-11H2,1-3H3,(H,33,35)(H,34,39)/t22-/m1/s1
Definition date:	2020-03-10
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide

V0V

V0V
Name:	(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)
Formula:	C25 H40 N7 O19 P3 S
SMILES:	c3n(C1OC(C(C1O)OP(O)(O)=O)COP(O)(=O)OP(O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS/C(O)=C(/C(O)=O)C)=O)c2ncnc(c2n3)N
InChi:	InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-11,13,16-18,22,34-35,39H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/b24-12+/t13-,16-,17-,18+,22-/m1/s1
Definition date:	2020-06-11
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)

RVY

RVY
Name:	(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
Formula:	C14 H14 N4 O2
SMILES:	n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C
InChi:	InChI=1S/C14H14N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,20)/t14-/m0/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione

RW7

RW7
Name:	(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Formula:	C14 H18 N2 O2
SMILES:	N2c1ccccc1C(=O)N(C)C(C)(CCC)C2=O
InChi:	InChI=1S/C14H18N2O2/c1-4-9-14(2)13(18)15-11-8-6-5-7-10(11)12(17)16(14)3/h5-8H,4,9H2,1-3H3,(H,15,18)/t14-/m0/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

RWA

RWA
Name:	(5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
Formula:	C16 H18 N4 O2
SMILES:	n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C)n3
InChi:	InChI=1S/C16H18N4O2/c1-15(2)13(21)16(3,17-14(15)22)9-11-10-20(19-18-11)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,22)/t16-/m1/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione

RWD

RWD
Name:	(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one
Formula:	C14 H16 N4 O2
SMILES:	n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3
InChi:	InChI=1S/C14H16N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,15,20)/t12-,14+/m0/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one

RWG

RWG
Name:	(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
Formula:	C14 H13 F N4 O2
SMILES:	n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O
InChi:	InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione

RWM

RWM
Name:	(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
Formula:	C15 H14 N2 O3
SMILES:	n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3
InChi:	InChI=1S/C15H14N2O3/c1-15(13(18)8-14(19)16-15)9-11-7-12(17-20-11)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,19)/t15-/m0/s1
Definition date:	2020-02-27
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione

TNR

TNR
Name:	O-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL)-L-SERINE
Formula:	C11 H20 N2 O8
SMILES:	O=C(O)C(N)COC1OC(C(O)C(O)C1NC(=O)C)CO
InChi:	InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1
Definition date:	2002-11-15
Last modified:	2020-07-03
Identifier:	(2S)-3-{[(2S,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-aminopropanoic acid (non-preferred name)

QVM

QVM
Name:	(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
Formula:	C22 H30 O2
SMILES:	C1(C(=C(CC(O)C1)C)C=CC(C)=CC=CC(=CC=CC=O)C)(C)C
InChi:	InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1
Definition date:	2019-12-31
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

Q3A

Q3A
Name:	8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
Formula:	C23 H22 F N5 O3 S
SMILES:	c2(c(c1CCOc1cc2)CNc3n5c(c(cn3)c4ccc(C)nc4C)c(S(=O)(C)=O)nc5)F
InChi:	InChI=1S/C23H22FN5O3S/c1-13-4-5-15(14(2)28-13)18-11-26-23(29-12-27-22(21(18)29)33(3,30)31)25-10-17-16-8-9-32-20(16)7-6-19(17)24/h4-7,11-12H,8-10H2,1-3H3,(H,25,26)
Definition date:	2019-09-11
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine

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