Table 4.

The cavity analysis for ACT058362 at human and rat Urotensin II receptor in binding mode 34567.

hIC50: 3.6 nM			rIC50: 1,475 nM
Res	#	NonBond	Res	#	NonBond
TYR	100	−0.56	TYR	100	−0.59
SER	103	−0.23	SER	103	−0.18
ILE	104	−1.12	ILE	104	−1.24
ILE	107	−1.38	ILE	107	−1.40
VAL	108	−1.15	ILE	108	−1.60
LEU	126	−2.19	LEU	126	−1.93
PHE	127	−3.44	PHE	127	−2.91
APP	130	−3.06	APP	130	−3.01
PHE	131	−3.86	PHE	131	−4.03
MET	134	−2.62	MET	134	−2.72
HIS	135	−0.32	HIS	135	−0.28
LEU	180	−0.26	LEU	180	−0.24
VAL	184	−0.18	MET	184	1.07
MET	188	−0.74	ILE	188	−0.26
SER	197	−0.85	SER	197	−0.85
LEU	198	−3.51	LEU	198	−3.44
LEU	200	−0.99	LEU	200	−1.05
PRO	201	−0.30	PRO	201	−0.33
LEU	215	−2.14	LEU	215	−2.16
PHE	216	−1.26	PHE	216	−1.30
THR	218	−0.50	THR	218	−0.41
SER	219	−0.48	SER	219	−0.52
PHE	272	−0.77	PHE	272	−0.74
PHE	275	−2.54	PHE	275	−3.08
TRP	276	−0.89	TRP	276	−0.71
TRP	278	−6.02	TRP	278	−5.90
GLN	279	−4.75	GLN	279	−3.09
ASN	299	−0.42	ASN	299	−0.43
THR	302	−2.28	THR	302	−2.39
THR	303	−1.55	THR	303	−1.12
THR	306	−1.23	THR	306	−1.20
TYR	307	−2.55	TYR	307	−2.14
SUM		−54.13	SUM		−50.17

Rat specific residues in shading are shown in the cavity analysis. The unit of energy is kcal/mol.