Ligand name: 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
PDB ligand accession: IXX
DrugBank: DB00458
PubChem: 3696
ChEMBL: CHEMBL11
InChI Key: BCGWQEUPMDMJNV-UHFFFAOYSA-N
SMILES: CN(C)CCCN1c2ccccc2CCc3c1cccc3

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzazepines
      • Subclass: Dibenzazepines

List of proteins that are targets for DB00458

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P25100_IXX	P25100	antagonist
2	P35368_IXX	P35368	antagonist
3	P23975_IXX	P23975	inhibitor	Ki(nM) = 16.0 IC50(nM) = 74.0
4	P35367_IXX	P35367	antagonist	Ki(nM) = 10.0 IC50(nM) = 27.0
5	Q12809_IXX	Q12809	inhibitor	IC50(nM) = 3388.0
6	P35348_IXX	P35348	antagonist	Ki(nM) = 32.0
7	P31645_IXX	P31645	inhibitor	Ki(nM) = 0.15 IC50(nM) = 0.88
8	P19652_IXX	P19652	n/a
9	P28335_IXX	P28335	antagonist	Ki(nM) = 150.0
10	P20309_IXX	P20309	antagonist	Ki(nM) = 60.0
11	Q9NZV8_IXX	Q9NZV8	inhibitor
12	P08908_IXX	P08908	activator	Ki(nM) = 5800.0
13	O67854_IXX	O67854	n/a
14	P28223_IXX	P28223	antagonist	Ki(nM) = 94.0
15	P14416_IXX	P14416	binder	Ki(nM) = 620.0 IC50(nM) = 410.0
16	P08172_IXX	P08172	antagonist	Ki(nM) = 0.13
17	P11229_IXX	P11229	antagonist	Ki(nM) = 42.0
18	Q05320_IXX	Q05320	n/a	Kd(nM) = 584000.0
19	P08912_IXX	P08912	antagonist	Ki(nM) = 83.0
20	P34969_IXX	P34969	antagonist	Ki(nM) = 1000.0
21	Q9UK17_IXX	Q9UK17	inhibitor
22	P50406_IXX	P50406	binder	Ki(nM) = 190.0
23	P08173_IXX	P08173	antagonist	Ki(nM) = 112.0
24	Q01959_IXX	Q01959	inhibitor	Ki(nM) = 8500.0 IC50(nM) = 25600.0
25	O95259_IXX	O95259	n/a