Ligand

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Ligand Name:   (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
HET ID:   6O8 PubChem:   119057466
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC(=O)O[C@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCCC
Standard InChI:   InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
Molecular Formula:   C19H39NO8P+ Mol. Weight:   440.48862 Heavy Atoms:   29
Charge:   1 Is Chiral:   True logP:   3.0517
HBD:   1 HBA:   8 TPSA:   118.17
#Bonds:   29 #Rotatable Bonds:   19 Shape Complexity:   0.8947368
Stereocomplexity:   0.10526316
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Transient receptor potential cation channel subfamily V member 1 O35433 (TRPV1_RAT) Rattus norvegicus 5IRX
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