Covpdb









Ligand
Ligand Name:   7-cyano-7-deazaguanine
Ligand Type:   non-polymer
Ligand ID:   COVPDB850 PubChem:   135446206
Synonym(s):  
  •   2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
  • 69205-79-4
  • 7-cyano-7-carbaguanine
  • 7-cn-7-deazag
  • preq(0)
  • chembl577120
  • chebi:45075
  • mfcd13178502
  • 1h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-4-oxo-
  • preq0
  • pq0
  • schembl94358
  • 7-cyano-7-deazaguanine, preq0
  • dtxsid10332223
  • bcp10625
  • zinc5973818
  • 0674ac
  • 2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
  • anw-61949
  • bdbm50303507
  • akos016004831
  • akos028108667
  • acn-037655
  • cs-w003845
  • db03074
  • qc-8391
  • ac-28226
  • ak-32535
  • ds-11773
  • sy028931
  • ab0069712
  • db-074144
  • a9166
  • ft-0746598
  • c15996
  • z-3803
  • q27104544
  • 2-amino-4,7-dihydro-4-oxo-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
  • 2-amino-4-oxo-4,7-dihydro-3h-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
show 38 synonym(s)
DrugBank:   DB03074 ChEMBL:   CHEMBL577120
Canonical SMILES:   O=c1[nH]c(N)nc(c12)[nH]cc2C#N
Standard InChI:   InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
Molecular Formula:   C7H5N5O Mol. Weight:   175.04941 logP:   -0.29492
HBD:   3 HBA:   4
#Rotatable Bonds:   0 TPSA:   111.35

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
NADPH-dependent 7-cyano-7-deazaguanine reductase Q9KTK0 (QUEF_VIBCH) Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) 3UXJ PRF
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SHOW
NADPH-dependent 7-cyano-7-deazaguanine reductase Q9KTK0 (QUEF_VIBCH) Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) 3S19 PRF
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SHOW
NADPH-dependent 7-cyano-7-deazaguanine reductase O31678 (QUEF_BACSU) Bacillus subtilis (strain 168) 4F8B GD1
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SHOW