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. Author manuscript; available in PMC: 2020 Apr 1.
Published in final edited form as: J Biomol Struct Dyn. 2018 May 17;37(7):1685–1699. doi: 10.1080/07391102.2018.1464957

Table 3.

List of ligands and their in silico binding affinity to the cV1bR.

SL. No. Ligand ΔGbinding (kcal/mol)
1 Manning compound; (d(CH2)51(Me)2,Arg8)-Vasopressin −9.2
2 3rd Compound of Table 10 in Fabio et al., 2010; Sanofi compound derivative by Taisho Pharm. Co. −8.9
3 Compound 2h of Table 9 in Fabio et al., 2010; l-(oxo-4H-quinazolin-3-yl) acetamide derivative −8.8
4 4th Compound of Table 10 in Fabio et al., 2010; Sanofi compound derivative by Taisho Pharm. Co. −8.3
5 Compound 12j in Napier et al., 2011; 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl) acetamide derivative −8.3
6 SR-49059((2S)-l-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-l-3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide) −7.9
7 SSR-149415;((2S,4R)-l-[5-Chloro-l-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2- oxo-2,3-dihydro-lH-indol-3-yll-4-hydroxy-N,N-dimethyl-2-pyrrolidine carboxamide) −7.9
8 Compound 30P of Table 3 in Scott et al., 2009; Tetrahydroquinoline sulfonamide derivative −7.6
9 L-368,899; l-((7,7-Dimethyl-2(S)-(2(S)-amino-4(methylsulfonyl)butyramido) bicyclo[2,2,l] heptan-l(S)-yl)methylsulfonyl)-4-(2-methylphenyl)piperazine hydrochloride −7.3
10 [Arg8]-Vasotocin −7.3

The more negative score represent the higher binding affinity