Ligand name: COCAINE
PDB ligand accession: COC
DrugBank: DB00907
PubChem: 446220
ChEMBL: CHEMBL370805
InChI Key: ZPUCINDJVBIVPJ-LJISPDSOSA-N
SMILES: CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of proteins that are targets for COC

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P08172_COC	P08172	Muscarinic acetylcholine receptor	antagonist
2	P01857_COC	P01857	Immunoglobulin heavy constant	n/a
3	P11229_COC	P11229	Muscarinic acetylcholine receptor	antagonist
4	A2NUE8_COC	A2NUE8	Vh gene product	n/a
5	A0A4X1TV69_COC	A0A4X1TV69	Transporter	n/a
6	Q7K4Y6_COC	Q7K4Y6	Sodium-dependent dopamine transporter	n/a
7	Q01959_COC	Q01959	Sodium-dependent dopamine transporter	inhibitor	Ki(nM) = 68.5 IC50(nM) = 267.0 EC50(nM) = 267.0
8	P23975_COC	P23975	Sodium-dependent noradrenaline transporter	inhibitor	Ki(nM) = 108.0 IC50(nM) = 186.0 EC50(nM) = 385.0
9	P01834_COC	P01834	Immunoglobulin kappa constant	n/a
10	Q99720_COC	Q99720	Sigma non-opioid intracellular	agonist
11	Q5XKG4_COC	Q5XKG4	deleted	n/a
12	P23141_COC	P23141	Liver carboxylesterase 1	binder
13	Q8WSF8_COC	Q8WSF8	Soluble acetylcholine receptor	n/a
14	P31645_COC	P31645	Sodium-dependent serotonin transporter	inhibitor	Ki(nM) = 155.0 IC50(nM) = 270.0 EC50(nM) = 318.0