Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC002947

Drug Information
NameNicotinamide-Adenine-Dinucleotide
IndicationNot AvailableExperimental    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(3
0)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10
)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2
,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21
-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
Canonical SMILESC1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)[N+]4=
CNC5=C4N=CN=C5N)O)O)O)O)C(=O)N    
Isomeric SMILESC1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])
OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=CNC5=C4N=CN=C5N)O)O)O)O)C(=O)N
CAS NumberCAS 53-84-9
PubChem Compound IDCID 5288979.
Target3-dehydroquinate synthaseInhibitor[1]
3-hydroxy-3-methylglutaryl-coenzyme A reductaseInhibitor[1]
AdenosylhomocysteinaseInhibitor[1]
Alcohol dehydrogenaseInhibitor[1]
Alcohol dehydrogenase [NADP+]Inhibitor[1]
Aldehyde dehydrogenase, mitochondrialInhibitor[1]
Alpha-glucosidaseInhibitor[1]
Alpha-glucosidaseInhibitor[1]
Biliverdin reductase AInhibitor[1]
Deoxyhypusine synthaseInhibitor[1]
Dihydrolipoyl dehydrogenase, mitochondrialInhibitor[1]
Dihydropteridine reductaseInhibitor[1]
Enoyl-[acyl-carrier-protein] reductase [NADH]Inhibitor[1]
Enoyl-[acyl-carrier-protein] reductase [NADH]Inhibitor[1]
Estradiol 17-beta-dehydrogenase 1Inhibitor[1]
Glutathione reductaseInhibitor[1]
Glutathione reductase, mitochondrialInhibitor[1]
Inosine-5'-monophosphate dehydrogenase 2Inhibitor[1]
L-lactate dehydrogenaseInhibitor[1]
NH(3)-dependent NAD(+) synthetaseInhibitor[1]
Nicotinate-nucleotide adenylyltransferaseInhibitor[1]
Nicotinate-nucleotide adenylyltransferaseInhibitor[1]
Peroxisomal multifunctional enzyme type 2Inhibitor[1]
Sorbitol dehydrogenaseInhibitor[1]
Transcriptional regulator nadRInhibitor[1]
UDP-galactose 4-epimeraseInhibitor[1]
UDP-glucose 4-epimeraseInhibitor[1]
Ref 1Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543