Appendix 1—table 1. Compound properties.

Compound	Smile	IC50 (hDMT1) (µM)	IC50 (hDMT1-S476V) (µM)	IC50 (hDMT1-N520L) (µM)	IC50 (hDMT1-F523A) (µM)
1	BrC1 = CC = C(C(C = CC(Br)=C2CSC(N)=N)=C2O3)C3 = C1CSC(N)=N	1.24 ± 0.23	11.3 ± 0.3	2.0 ± 0.4	2.9 ± 0.9
2	CC1 = C(CSC(N)=N)C(C)=CC(C)=C1CSC(N)=N	0.35 ± 0.04	36.1 ± 8.0	21.7 ± 6.9	82.9 ± 5.3
3	NC(SCC1 = C(CC)C = C(CC)C(CSC(N)=N)=C1 CC)=N	0.27 ± 0.07	32.1 ± 6.3	13.7 ± 3.9	17.8 ± 7.0
4	BrC1 = CC(CSC(N)=N)=CC(CSC(N)=N)=C1	4.66 ± 0.4	47.6 ± 6.8	-	17.3 ± 0.5
5	NC(SCC1 = CC = CC(CSC(N)=N)=C1 Br)=N	2.3 ± 0.25
6	NC(SCC1 = CC = CC(CSC2 = NCCN2)=C1 Br)=N	8.13 ± 0.47
7	BrC1 = C(CSC2 = NCCN2)C = CC = C1CSC3 = NCCN3	161 ± 24