Molecule Info: TAK-875
Smiles:
[O-]C(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C

Netcharge:
-1

InChIKey:
BZCALJIHZVNMGJ-SAEFKKIJNA-M

InChI:
1/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/p-1/t23-/m1/s1/fC29H31O7S/q-1

InChIcol:
1

+info (from its Standard Form):
TAK-875

Complex structures in which this molecule appears :
Complex Structure ID: 74

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: