Molecule Info: maravirocum
Smiles:
O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C

Netcharge:
1

InChIKey:
GSNHKUDZZFZSJB-KWDICUHXNA-O

InChI:
1/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/p+1/t23-,24+,25-,26-/m0/s1/fC29H42F2N5O/h32,35H/q+1

InChIcol:
1

+info (from its Standard Form):
maravirocum

Complex structures in which this molecule appears :
Complex Structure ID: 65 Complex Structure ID: 117

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: