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. 2017 Mar 27;7:45211. doi: 10.1038/srep45211

Table 1. Result of Amlodipine derivatives docking with LCC.

S.No. Compound BE (kcal/mol) Surrounding Residues
1. 3a −8.1 ASN-398 (IS6), THR-1129 (IIIP), ASN-1178 (IIIS6)
2. 3b −8.6 ASN-740 (IIS6)
3. 3c −9.8 ASN-1178 (IIIS6), ASN-740 (IIS6), ASN-398 (IS6)
4. 3d −10.2 THR-1132 (IIIP), PHE-1133 (IIIP), LEU-704 (IIP), ASN-740 (IIS6), ASN-1178 (IIIS6)
5. 3e −9.1 THR-361 (IP), MET-362 (IP), THR-1129 (IIIP), THR-705 (IIP), ASN-1178 (IIIS6), ASN-740 (IIS6)
6. 5a −12.0 THR-1132 (IIIP), PHE-1133 (IIIP), GLY-1463 (IVP), GLY-705 (IIP), MET-362 (IP), ASN-740(IIS6), ASN-1178 (IIIS6)
7. 5b −8.9 ASN-707 (IIP), GLY-705 (IIP), ASN-743 (IIS6), THR-1129 (IIIP)
8. 5c −9.6 ASN-740 (IIS6)
9. 5d −8.5 ASN-1178 (IIIS6)
10. 5e −11.0 THR-1129 (IIIP), ASN-1178 (IIIS6)
11 Amlodipine −8.4 ILE-360 (IP), SER-393 (IS6), ASN-1178 (IIIS6), ASN-740 (IIS6)