Ligand Download |
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Ligand Name: 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium | ||
HET ID: IXO | PubChem: 10104167 | |
DrugBank: - | ChEMBL: CHEMBL3121473 | |
Canonical SMILES: C[N+](CC#CCOC1=NOCC1)(C)C | ||
Standard InChI: InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 | ||
Molecular Formula: C10H17N2O2+ | Mol. Weight: 197.25418 | Heavy Atoms: 14 |
Charge: 1 | Is Chiral: False | logP: -0.118 |
HBD: 0 | HBA: 3 | TPSA: 30.82 |
#Bonds: 14 | #Rotatable Bonds: 3 | Shape Complexity: 0.875 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Muscarinic acetylcholine receptor M2 | P08172 (ACM2_HUMAN) | Homo sapiens | 4MQS | Ki : 2.5 nM, Ki : 10.0 nM, Ki : 257.0 nM, Ki : 2.2 nM, Ki : 4.9 nM, Ki : 8.7 nM, EC50 : 0.17 nM, EC50 : 0.08 nM, EC50 : 0.28 nM | BindingDB | SHOW |
Muscarinic acetylcholine receptor M2 | P08172 (ACM2_HUMAN) | Homo sapiens | 4MQT | Ki : 8.7 nM, Ki : 257.0 nM, Ki : 2.5 nM, Ki : 10.0 nM, Ki : 4.9 nM, Ki : 2.2 nM, EC50 : 0.08 nM, EC50 : 0.17 nM, EC50 : 0.28 nM | BindingDB | SHOW |
Muscarinic acetylcholine receptor M1 | P11229 (ACM1_HUMAN) | Homo sapiens | 6OIJ |
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Muscarinic acetylcholine receptor M2 | P08172 (ACM2_HUMAN) | Homo sapiens | 6OIK |
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