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PDB Info pages Status search Chemie search: 35611 results BIRD

777

777
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid
Formula:	C12 H19 N6 O7 P
SMILES:	CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23
InChi:	InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1
Synonyms:	D-Trp-G
Definition date:	2016-06-28
Last modified:	2021-03-01
Release date:	2017-06-28
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid

78N

78N
Name:	(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE
Formula:	C18 H34 O4
SMILES:	O=C(OCC(O)CO)CCCCCC=C/CCCCCCC
InChi:	InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1
Synonyms:	7.8 MONOACYLGLYCEROL (2R)
Definition date:	2012-01-19
Last modified:	2021-03-01
Release date:	2013-02-01
Identifier:	(2R)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate

78P

78P
Name:	(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium
Formula:	C13 H16 N4 O
SMILES:	O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3
InChi:	InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
Synonyms:	Veliparib
Definition date:	2007-10-09
Last modified:	2021-03-01
Identifier:	2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide

791

791
Name:	2-PHENYLMALONIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)C(C(=O)O)c1ccccc1
InChi:	InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Synonyms:	RU78191
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	phenylpropanedioic acid

L9R

L9R
Name:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
Formula:	C44 H86 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
Definition date:	2010-03-19
Last modified:	2021-03-01
Identifier:	(2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

799

799
Name:	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide
Formula:	C24 H28 N8 O2
SMILES:	C(N)(C(C)(C)n5cc(c1cc2c(cc1)c3n(CCO2)cc(n3)c4nc(C)nn4C(C)C)cn5)=O
InChi:	InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
Synonyms:	taselisib
Definition date:	2016-09-13
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide

79A

79A
Name:	3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Formula:	C17 H12 F3 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc2ccc(c3c2CC(C3O)(F)F)S(C)(=O)=O
InChi:	InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
Synonyms:	PT2385
Definition date:	2016-09-14
Last modified:	2021-03-01
Release date:	2016-09-21
Identifier:	3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile

LAM

LAM
Name:	4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE
Formula:	C24 H35 N O17 S
SMILES:	[O-][N+](=O)c4ccc(OC3OC(CO)C(O)C(OC2OC(CO)C(O)C(SC1OC(C(O)C(O)C1O)CO)C2O)C3O)cc4
InChi:	InChI=1S/C24H35NO17S/c26-5-10-13(29)16(32)17(33)24(41-10)43-21-15(31)12(7-28)40-23(19(21)35)42-20-14(30)11(6-27)39-22(18(20)34)38-9-3-1-8(2-4-9)25(36)37/h1-4,10-24,26-35H,5-7H2/t10-,11?,12-,13-,14?,15-,16+,17-,18?,19-,20?,21+,22?,23+,24+/m1/s1
Synonyms:	4'-NITROPHENYL-3I-THIOLAMINARITRIOSIDE
Definition date:	2001-06-04
Last modified:	2021-03-01
Identifier:	4-nitrophenyl beta-D-glucopyranosyl-(1->3)-3-thio-beta-D-glucopyranosyl-(1->3)hexopyranoside

LAQ

LAQ
Name:	5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE
Formula:	C18 H26 N5 O8 P S2
SMILES:	O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OC(=O)CCCCC4SSCC4
InChi:	InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
Synonyms:	LIPOYL-AMP
Definition date:	2006-12-27
Last modified:	2021-03-01
Identifier:	5'-O-[(R)-({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine

LAZ

LAZ
Name:	N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE
Formula:	C9 H10 Cl N O2
SMILES:	O=C(c1ccc(Cl)cc1)NCCO
InChi:	InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
Synonyms:	4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
Definition date:	2003-07-08
Last modified:	2021-03-01
Identifier:	4-chloro-N-(2-hydroxyethyl)benzamide

7AN

7AN
Name:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide
Formula:	C12 H14 N2 O
SMILES:	CC(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
Synonyms:	N-acetyltryptamine
Definition date:	2016-06-24
Last modified:	2021-03-01
Release date:	2017-07-05
Identifier:	~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide

7AP

7AP
Name:	(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL
Formula:	C9 H12 N6 O2
SMILES:	n1c2c(ncc1C(O)C(O)C)nc(nc2N)N
InChi:	InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1
Synonyms:	4-AMINOBIOPTERIN
Definition date:	2006-03-07
Last modified:	2021-03-01
Identifier:	(1S,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol

7AX

7AX
Name:	7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile
Formula:	C23 H17 N3 O4
SMILES:	c2c1ccc(cc1cc(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)C#N
InChi:	InChI=1S/C23H17N3O4/c24-15-16-5-6-17-7-8-19(14-18(17)13-16)30-21-4-2-1-3-20(21)29-12-11-26-10-9-22(27)25-23(26)28/h1-10,13-14H,11-12H2,(H,25,27,28)
Synonyms:	JLJ649
Definition date:	2016-09-26
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile

7BD

7BD
Name:	3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid
Formula:	C16 H13 N O3
SMILES:	O=C(O)CCON=C3c1ccccc1c2c3cccc2
InChi:	InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19)
Synonyms:	3-(9H-fluoren-9-ylideneaminooxy)propanoic acid
Definition date:	2009-04-06
Last modified:	2021-03-01
Identifier:	3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid

7BL

7BL
Name:	(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one
Formula:	C27 H40 O4
SMILES:	CC=[C@H]CC(=C/C1CC=CC=CCC(C=C(C(OC)CC=CC(CC(O1)=O)O)C)C)C
InChi:	InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1
Synonyms:	biselyngbyolide B
Definition date:	2015-03-16
Last modified:	2021-03-01
Release date:	2016-01-13
Identifier:	(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one

7BS

7BS
Name:	(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside
Formula:	C34 H52 O9
SMILES:	COC2CC=CC(OC1OC(C(C(C1O)OC)O)CO)CC(OC(CC=CC=CCC(C=C2C)C)[C@H]=C(C)C[C@H]=CC)=O
InChi:	InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1
Synonyms:	Biselyngbyaside
Definition date:	2015-02-27
Last modified:	2021-03-01
Release date:	2016-01-13
Identifier:	(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside

7BT

7BT
Name:	(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Formula:	C20 H29 N O9
SMILES:	COc1cc(C=CC(=O)NCC[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(OC)c1OC
InChi:	InChI=1S/C20H29NO9/c1-27-13-8-11(9-14(28-2)20(13)29-3)4-5-16(23)21-7-6-12-17(24)19(26)18(25)15(10-22)30-12/h4-5,8-9,12,15,17-19,22,24-26H,6-7,10H2,1-3H3,(H,21,23)/b5-4-/t12-,15-,17+,18+,19-/m1/s1
Synonyms:	Laura237
Definition date:	2016-09-29
Last modified:	2021-03-01
Release date:	2017-05-31
Identifier:	(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

LCL

LCL
Name:	2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Formula:	C11 H12 Cl2 N2 O5
SMILES:	O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO
InChi:	InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1
Synonyms:	L-Chloramphenicol
Definition date:	2012-08-16
Last modified:	2021-03-01
Release date:	2013-05-08
Identifier:	2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

LCM

LCM
Name:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Formula:	C18 H20 N2 O6
SMILES:	O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
InChi:	InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
Synonyms:	4-LICAM
Definition date:	2013-01-22
Last modified:	2021-03-01
Release date:	2013-04-03
Identifier:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)

7CH

7CH
Name:	(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Formula:	C11 H13 N4 O6 P
SMILES:	O=P3(OCC4OC(n2c1ncnc(N)c1cc2)C(O)C4O3)O
InChi:	InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
Synonyms:	7-CH-cAMP
Definition date:	2013-12-16
Last modified:	2021-03-01
Release date:	2014-03-19
Identifier:	(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

LDB

LDB
Name:	4-Thiouracil
Formula:	C4 H4 N2 O S
SMILES:	O=C1NC=CC(=S)N1
InChi:	InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
Synonyms:	4-sulfanylidene-1~{H}-pyrimidin-2-one
Definition date:	2019-08-05
Last modified:	2021-03-01
Release date:	2020-02-05
Identifier:	4-sulfanylidene-1~{H}-pyrimidin-2-one

LDE

LDE
Name:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C11 H22 N O6 P
SMILES:	O=P(O)(CC(C(=O)O)CCC(=O)O)C(N)CC(C)C
InChi:	InChI=1S/C11H22NO6P/c1-7(2)5-9(12)19(17,18)6-8(11(15)16)3-4-10(13)14/h7-9H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9+/m0/s1
Synonyms:	L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE
Definition date:	2011-05-18
Last modified:	2021-03-01
Identifier:	(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid

7CY

7CY
Name:	(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Formula:	C11 H15 N5 O3
SMILES:	n1cnc2c(c1N)ncn2C3C(O)C(C(C3)CO)O
InChi:	InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
Synonyms:	Aristeromycin
Definition date:	2016-10-05
Last modified:	2021-03-01
Release date:	2016-10-19
Identifier:	(1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

7D4

7D4
Name:	[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H16 N5 O12 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]3CO
InChi:	InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
Synonyms:	oxetanocin A triphosphate
Definition date:	2016-10-07
Last modified:	2021-03-01
Release date:	2016-11-16
Identifier:	[[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

7D5

7D5
Name:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O6 P
SMILES:	c1nc(c2c(n1)n(cn2)C3C(C(COP(O)(=O)O)O3)CO)N
InChi:	InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
Synonyms:	oxetanocin A monophosphate
Definition date:	2016-10-07
Last modified:	2021-03-01
Release date:	2016-11-16
Identifier:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate

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