Table 1.

Drugs ranked by mean Tanimoto combo score with docked scores.

Record #	Drug name	Tanimoto Combo Score (± SD)	Tanimoto Shape Score	Tanimoto Color Score	Docked score (kcal/mol)	Calculated buried MDM2 surface (Å2)
	nutlin 2				−6.8 (9 docks)	317
	nutlin 3a-CM				−7.7 (9 docks)	329
	nutlin 3a-OG				−7.1 (9 docks)	282
ZINC03830283	S-bepridil/Vascor	0.802±0.091	0.538	0.264	−6.55	276
ZINC03831395	Protirelin/Thyrel TRH	0.784±0.076	0.523	0.261	−5.73	249
ZINC11677473	Azaribine/Triazure	0.756±0.144	0.49	0.265	−5.49	257
ZINC01847743	caramiphen, Ordrine AT	0.749±0.015	0.43	0.319	−5.82	218
ZINC03812918	R-bepridil	0.748±0.057	0.49	0.258	−6.66	252
ZINC00001446	Prenazone, Feprazone	0.748±0.049	0.488	0.259	−6.62	244
ZINC00537935	Lorcainide	0.745±0.040	0.442	0.303	−6.91	269
ZINC00607836	Doxapramhydrochloride/Dopram	0.742±0.061	0.499	0.243	−6.24	273
ZINC01530778	Phenylbutazone	0.742±0.053	0.489	0.253	−6.34	220
ZINC03831172	Nafronyl-d4	0.729±0.057	0.467	0.263	−5.92	292
ZINC04026871	nandrolone phenylpropionate	0.728±0.056	0.462	0.266	−7.61	291
ZINC00601229	Azelastine	0.726±0.064	0.45	0.276	−7.28	229
ZINC00000452	Mephenoxalone	0.724±0.041	0.362	0.363	−4.72	171
ZINC04534031	Azlocillin	0.724±0.065	0.504	0.221	−6.55	281
ZINC00001732	Midazolam hydrochloride	0.722±0.065	0.462	0.26	−6.69	201