Ligand

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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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SHOW
Muscarinic acetylcholine receptor M2 P08172 (ACM2_HUMAN) Homo sapiens 6OIK
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SHOW