Ligand
Ligand Name:   2,4-diaminopteridine-6-carbaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB386 PubChem:   3080607
Synonym(s):  
  •   daptca
  • 4261-17-0
  • 2,4-diamino-6-pteridinecarboxaldehyde
  • 2,4-diamino-6-formylpteridine
  • 2,4-diamino-pteridine-6-carbaldehyde
  • schembl11631985
  • dtxsid30195372
  • chebi:137365
  • 2,4-da-6-fp
  • akos000276915
  • 6-pteridinecarboxaldehyde, 2,4-diamino-
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=Cc(cn1)nc(c12)c(N)nc(n2)N
Standard InChI:   InChI=1S/C7H6N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1-2H,(H4,8,9,10,12,13)
Molecular Formula:   C7H6N6O Mol. Weight:   190.0603 logP:   -0.6033
HBD:   2 HBA:   7
#Rotatable Bonds:   1 TPSA:   120.67

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Major histocompatibility complex class I-related gene protein Q95460 (HMR1_HUMAN) Homo sapiens (Human) 5U17 7WP
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