ADE

ADENINE

Created:	1999-07-08
Last modified:	2011-06-04

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191 entries where ADE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

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Chemical Component Summary
Name	ADENINE
Systematic Name (OpenEye OEToolkits)	9H-purin-6-amine
Formula	C₅ H₅ N₅
Molecular Weight	135.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2ncnc2nc1)N
SMILES	CACTVS	3.341	Nc1ncnc2[nH]cnc12
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(ncn2)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2[nH]cnc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)c(ncn2)N
InChI	InChI	1.03	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey	InChI	1.03	GFFGJBXGBJISGV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00173
Name	Adenine
Groups	approved nutraceutical
Description	A purine base and a fundamental unit of adenine nucleotides.
Synonyms	Adenine 6-Aminopurine Adenine sulfate Vitamin B4 Adenine hydrochloride Adenin
Brand Names	Sag-mannitol Solution Additive Solution Sodium Adenine Glucose Mannitol (sagm) Rejuvesol TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative Leukotrap - AS-3 Solution Nutricel Additive Solution - AS-3 Anticoagulant Cit Phos Dex Adenine Sol USP Adsol Red Cell Preservation Leukotrap WB System - AS3 Additive Formula 3 Leukotrap WB System CPDA-1 Blood Collection System Leukotrap - AS-3 Haemonetics Additive Solution Formula 3 (AS-3) Leucoflex CGP Leukotrap TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) Sag-M Cpd Adenine Cpda 1 IMUFLEX WB-RP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Removing Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative CPD/ADSOL Red Cell Preservation Solution System (PL 2209) Additive Solution Formula 3 As-3 Cpd/adsol Cpda-1 IMUFLEX WB-SP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Saving Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) and OPTISOL (AS-5) Red Cell Preservative MTL1 Leucoflex TERUFLEX Blood Bag System with Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative As-3 ADSOL Red Cell Preservation Solution System in Plastic Container (PL 146 Plastic) As 3 TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL Red Cell Preservative
Indication	For nutritional supplementation, also for treating dietary shortage or imbalance
Categories	Dietary Supplements Heterocyclic Compounds, Fused-Ring Purines Supplements UGT1A1 Inhibitors
CAS number	73-24-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenine phosphoribosyltransferase	MADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHL...	unknown
DNA	-	unknown
S-methyl-5'-thioadenosine phosphorylase	MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKI...	unknown
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...	unknown
Acetyl-CoA carboxylase 2	MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPA...	unknown
Low molecular weight phosphotyrosine protein phosphatase	MAEQATKSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGY...	unknown
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGI...	unknown
Peroxisomal trans-2-enoyl-CoA reductase	MASWAKGRSYLAPGLLQGQVAIVTGGATGIGKAIVKELLELGSNVVIASR...	unknown
A/G-specific adenine glycosylase	MQASQFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIP...	unknown
Nucleoside deoxyribosyltransferase-I	MKAVVPTGKIYLGSPFYSDAQRERAAKAKELLAKNPSIAHVFFPFDDGFT...	unknown
SRSF protein kinase 2	MSVNSEKSSSSERPEPQQKAPLVPPPPPPPPPPPPPLPDPTPPEPEEEIL...	unknown
Holliday junction ATP-dependent DNA helicase RuvB	MEDLALRPKTLDEYIGQERLKQKLRVYLEAAKARKEPLEHLLLFGPPGLG...	unknown
UDP-glucuronosyltransferase 1-1	MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQL...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682