Molecule Info: Naltrindole
Smiles:
Oc1ccc2c3c1O[C@@H]1[C@@]43CC[N@@H+]([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1
Netcharge:
1
InChIKey:
WIYUZYBFCWCCQJ-OESNEDMFNA-O
InChI:
1/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/p+1/t20-,24+,25+,26-/m1/s1/fC26H27N2O3/h28H/q+1
InChIcol:
1
More information (from its Standard Form):
Naltrindole
Complex structures in which this molecule appears :
Complex Structure ID: 143
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.