e-Drug3D
1666
cas 143188-53-8
CLASS
ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV AGENTS
ANTI-HBV AGENTS
NUCLEOSIDE AND NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS (NRTIS)
ROUTE (list)
-
ATC code
J05AF05
J05AR02
J05AR25
J05AR16
J05AR12
J05AR13
J05AR27
J05AR24
J05AR11
J05AR28
J05AR07
J05AR01
J05AR04
J05AR05
PK parameters
TARGET REVERSE TRANSCRIPTASE (GAG-POL POLYPROTEIN)
PDB
4K4H (TERNARY CRYSTAL STRUCTURES OF A HUMAN DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND (-)3TC-TP.)
Ligand code = 1RZ (link to the list of PDB complexes)
Download experimental 3D coordinates of 1RZ with added hydrogens
Protein P UNIPROT Q9IF40 P
Reverse transcriptase,RNaseH UNIPROT Q72547 pol
Formula:
C8H14N3O12P3S
Calculated chemical properties:
MW 465.17
NB_atoms 27
XLogP -2.77
PSA 213.787
NB_HD 2
NB_HA 15
fsp3 0.50
Lipinski(0=no;1=yes) 0
NB_atoms 27
XLogP -2.77
PSA 213.787
NB_HD 2
NB_HA 15
fsp3 0.50
Lipinski(0=no;1=yes) 0
FDA
-
-