Molecule Info: MRS-2500
Smiles:
CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)COP(=O)([O-])[O-])OP(=O)([O-])[O-]
Netcharge:
-4
InChIKey:
NMVWLEUONAKGCD-WDSXMNLANA-J
InChI:
1/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/p-4/t6-,7+,8+,13+/m1/s1/fC13H14IN5O8P2/h15H/q-4
InChIcol:
1
More information (from its Standard Form):
MRS-2500
Complex structures in which this molecule appears :
Complex Structure ID: 182 Complex Structure ID: 183
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
