Drug Information

Drug General Information
Drug ID
D0F5TV
Former ID
DNC001404
Drug Name
TAD
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535593]
Structure
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2D MOL

3D MOL
Formula
C10H17N3NaO6S
Canonical SMILES
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N.[Na]
InChI
1S/C10H17N3O6S.Na/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/t5-,6-;/m0./s1
InChIKey
KJQNSWHBRKOGHW-GEMLJDPKSA-N
CAS Number
CAS 102977-57-1
PubChem Compound ID
46174090
PubChem Substance ID
96024718, 226974927
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase Target Info Inhibitor [535593]
References
Ref 535593Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis. Biochemistry. 2002 Nov 5;41(44):13309-17.
Ref 535593Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis. Biochemistry. 2002 Nov 5;41(44):13309-17.

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