KEGG   DRUG: OxilorphanHelp
Entry
D05299                      Drug                                   

Name
Oxilorphan (USAN/INN)
Formula
C20H27NO2
Exact mass
313.2042
Mol weight
313.4339
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Narcotic antagonist
Target
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D05299  Oxilorphan (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 42281-59-4
PubChem: 47207000
ChEMBL: CHEMBL2106993
LigandBox: D05299
NIKKAJI: J16.433J
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    28.7000  -14.4900
            2   C8x C    28.7000  -15.8200
            3   C8y C    29.8900  -16.5200
            4   C8y C    31.0800  -15.8200
            5   C8x C    31.0800  -14.4900
            6   C8x C    29.8900  -13.7900
            7   O1a O    27.5800  -13.7900
            8   C1z C    29.8900  -17.8500
            9   C1z C    31.0800  -18.5500
            10  C1y C    32.2700  -17.8500
            11  C1x C    32.2700  -16.5200
            12  C1x C    28.7000  -18.5500
            13  C1x C    28.7000  -19.9500
            14  C1x C    29.8900  -20.5800
            15  C1x C    31.0800  -19.9500
            16  N1y N    33.4600  -18.5500
            17  C1x C    31.0800  -17.2200
            18  C1x C    33.4600  -17.2200
            19  O1a O    32.1300  -19.5300
            20  C1b C    34.8600  -18.5500
            21  C1y C    35.5600  -19.8100
            22  C1x C    36.6921  -20.4181
            23  C1x C    35.5691  -21.1307
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     1   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    4  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    9  15 1
            18   10  16 1 #Up
            19    8  17 1 #Up
            20   16  18 1
            21   17  18 1
            22    9  19 1 #Up
            23   16  20 1
            24   20  21 1
            25   22  21 1
            26   21  23 1
            27   22  23 1

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