KEGG   DRUG: Lobeline
Entry
D02364                      Drug                                   
Name
Lobeline (INN)
Formula
C22H27NO2
Exact mass
337.2042
Mol weight
337.4553
Structure
Simcomp
Source
Lobelia inflata [TAX:308559]
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
Remark
Same as: C07475
Chemical structure group: DG01287
Efficacy
Respiratory stimulant
Target
CHRN [HSA:1134 1135 1136 1137 1138 8973 1139 55584 57053 1140 1141 1142 1143 1144 1145 1146] [KO:K04803 K04804 K04805 K04806 K04807 K04808 K04809 K04810 K04811 K04812 K04813 K04814 K04815 K04816 K04817 K04818]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG01287  Lobeline
    D02364  Lobeline
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D02364  Lobeline (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG01287  Lobeline
Other DBs
CAS: 90-69-7
PubChem: 7849423
ChEBI: 48723
PDB-CCD: L0B[PDBj]
LigandBox: D02364
NIKKAJI: J9.320C
KCF data

ATOM        25
            1   C8x C    24.7800  -17.5000
            2   C8x C    24.7800  -18.9000
            3   C8x C    26.0400  -19.6000
            4   C8x C    27.2300  -18.9000
            5   C8y C    27.2300  -17.5000
            6   C8x C    26.0400  -16.8000
            7   C5a C    28.4900  -16.8000
            8   C1b C    29.6800  -17.5000
            9   O5a O    28.4900  -15.4000
            10  C1y C    30.8700  -16.8000
            11  N1y N    32.0600  -17.5000
            12  C1y C    33.2500  -16.8000
            13  C1x C    33.2500  -15.4000
            14  C1x C    32.0600  -14.7000
            15  C1x C    30.8700  -15.4000
            16  C1b C    34.5100  -17.5000
            17  C1c C    35.7000  -16.8000
            18  C8y C    36.8900  -17.5000
            19  C8x C    36.8900  -18.9000
            20  C8x C    38.0800  -19.6000
            21  C8x C    39.3400  -18.9000
            22  C8x C    39.3400  -17.5000
            23  C8x C    38.0800  -16.8000
            24  O1a O    35.7000  -15.4000
            25  C1a C    32.0600  -19.1100
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     5   7 1
            8     7   8 1
            9     7   9 2
            10   10   8 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   17  24 1 #Down
            27   11  25 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (32)   
   KEGG ORTHOLOGY (16)   
   KEGG GENES (16)   
All databases (42)   

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