Reaction Details Report a problem with these data
Target
Nucleoprotein
Ligand
BDBM614626
Substrate
n/a
Meas. Tech.
TBD
EC50
41.0±n/a nM
Citation
 BARRETT, M; COCKERILL, GS; GOOD, J; AVERY, CA; COCHRANE, EJ; JONES, SP; ONIONS, ST; WARNER, AJ BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION US Patent  US20230270751 Publication Date 8/31/2023 
Target
Name:
Nucleoprotein
Synonyms:
N | NCAP_HRSVA | Nucleocapsid protein | Protein N
Type:
PROTEIN
Mol. Mass.:
43455.45
Organism:
Human respiratory syncytial virus A (strain A2)
Description:
ChEMBL_117398
Residue:
391
Sequence:
MALSKVKLNDTLNKDQLLSSSKYTIQRSTGDSIDTPNYDVQKHINKLCGMLLITEDANHKFTGLIGMLYAMSRLGREDTIKILRDAGYHVKANGVDVTTHRQDINGKEMKFEVLTLASLTTEIQINIEIESRKSYKKMLKEMGEVAPEYRHDSPDCGMIILCIAALVITKLAAGDRSGLTAVIRRANNVLKNEMKRYKGLLPKDIANSFYEVFEKHPHFIDVFVHFGIAQSSTRGGSRVEGIFAGLFMNAYGAGQVMLRWGVLAKSVKNIMLGHASVQAEMEQVVEVYEYAQKLGGEAGFYHILNNPKASLLSLTQFPHFSSVVLGNAAGLGIMGEYRGTPRNQDLYDAAKAYAEQLKENGVINYSVLDLTAEELEAIKHQLNPKDNDVEL
  
Inhibitor
Name:
BDBM614626
Synonyms:
(5R*)-2-(2,6- Difluorophenyl)-N- [(3S)-9-fluoro-2-oxo- 5-phenyl-1,3-dihydro- 1,4-benzodiazepin-3- yl]-5-(hydroxymethyl)- 6,7-dihydro-5H- pyrazolo[5,1- b][1,3]oxazine-3- carboxamide | US20230270751, Example 189-1
Type:
Small organic molecule
Emp. Form.:
C29H22F3N5O4
Mol. Mass.:
561.5113
SMILES:
OC[C@H]1CCn2nc(c(C(=O)N[C@H]3N=C(c4ccccc4)c4cccc(F)c4NC3=O)c2O1)-c1c(F)cccc1F |wD:2.1,12.11,t:13,(3.13,-5.92,;4.6,-5.45,;4.92,-3.94,;6.38,-3.46,;6.7,-1.96,;5.56,-.93,;5.56,.61,;4.09,1.09,;3.19,-.16,;1.65,-.16,;.88,1.18,;.88,-1.49,;-.66,-1.49,;-1.33,-.1,;-2.83,.24,;-3.17,1.74,;-4.65,2.19,;-4.99,3.7,;-3.86,4.74,;-2.39,4.29,;-2.04,2.79,;-4.04,-.72,;-5.37,.05,;-6.7,-.72,;-6.7,-2.26,;-5.37,-3.03,;-5.37,-4.57,;-4.04,-2.26,;-2.83,-3.22,;-1.33,-2.88,;-.37,-4.08,;4.09,-1.4,;3.77,-2.91,;3.47,2.99,;4.51,4.14,;6.01,3.82,;4.03,5.6,;2.52,5.92,;1.49,4.78,;1.97,3.31,;.94,2.17,)|
Structure:
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