Drug General Information
Drug ID
D0Y6LK
Former ID
DNC000529
Drug Name
Deamido-NAD
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535348]
Structure
Download
2D MOL

3D MOL

Formula
C21H27N6NaO15P2+
Canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(<br />C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)O.[Na]
InChI
1S/C21H26N6O15P2.Na/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33;/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37);/p+1
InChIKey
SSMFFDBXAUKIMZ-UHFFFAOYSA-O
CAS Number
CAS 100659-17-4
PubChem Compound ID
PubChem Substance ID
ChEBI ID
ChEBI:18304
Target and Pathway
Target(s) Nicotinate-nucleotide adenylyltransferase Target Info Binder [535348]
References
Ref 535348Crystal structures of E. coli nicotinate mononucleotide adenylyltransferase and its complex with deamido-NAD. Structure. 2002 Jan;10(1):69-79.
Ref 535348Crystal structures of E. coli nicotinate mononucleotide adenylyltransferase and its complex with deamido-NAD. Structure. 2002 Jan;10(1):69-79.

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