KEGG   DRUG: Dapivirine
Entry
D11246                      Drug                                   

Name
Dapivirine (USAN/INN)
Formula
C20H19N5
Exact mass
329.164
Mol weight
329.3984
Structure
Simcomp
Class
Antiviral
 DG01889  Non-nucleoside reverse transcriptase inhibitor (NNRTI)
Remark
ATC code: G01AX17
Efficacy
Antiviral, Reverse transcriptase inhibitor
Comment
HIV transmission prevention
Target
HIV-1 reverse transcriptase [KO:K24802]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AX Other antiinfectives and antiseptics
     G01AX17 Dapivirine
      D11246  Dapivirine (USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Genome replication inhibitor
   HIV reverse transcriptase inhibitor
    D11246  Dapivirine (USAN/INN)
Other DBs
CAS: 244767-67-7
PubChem: 384585224
ChEMBL: CHEMBL70663
PDB-CCD: TPB[PDBj]
KCF data

ATOM        25
            1   C8y C    13.7464  -15.1490
            2   C8x C    13.7464  -16.5516
            3   C8y C    14.9387  -17.2530
            4   C8y C    16.2011  -16.5516
            5   C8y C    16.2011  -15.1490
            6   C8x C    14.9387  -14.4476
            7   N1b N    17.3934  -17.2530
            8   C8y C    18.6558  -16.5516
            9   N5x N    19.7779  -17.2530
            10  C8y C    21.0404  -16.5516
            11  N5x N    21.0404  -15.1490
            12  C8x C    19.8481  -14.4476
            13  C8x C    18.6558  -15.1490
            14  N1b N    22.3028  -17.2530
            15  C8y C    23.4950  -16.5516
            16  C8x C    24.6873  -17.2530
            17  C8x C    25.8796  -16.5516
            18  C8y C    25.8796  -15.1490
            19  C8x C    24.6873  -14.4476
            20  C8x C    23.4950  -15.1490
            21  C1a C    17.3934  -14.4476
            22  C3b C    27.1420  -14.4476
            23  N3a N    28.3343  -13.7463
            24  C1a C    12.5541  -14.4476
            25  C1a C    14.9387  -18.6557
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23    5  21 1
            24   18  22 1
            25   22  23 3
            26    1  24 1
            27    3  25 1

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