Molecule Info: CHEMBL1160696
Smiles:
Oc1ccc(cc1)CC([NH2+]C[C@@H](c1ccc(c(c1)O)O)O)(C)C
Netcharge:
1
InChIKey:
CTXHFGIUMIBAFO-HOIPEMIANA-O
InChI:
1/C18H23NO4/c1-18(2,10-12-3-6-14(20)7-4-12)19-11-17(23)13-5-8-15(21)16(22)9-13/h3-9,17,19-23H,10-11H2,1-2H3/p+1/t17-/m0/s1/fC18H24NO4/h19H/q+1
InChIcol:
1
More information (from its Standard Form):
CHEMBL1160696
Complex structures in which this molecule appears :
Complex Structure ID: 113
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
