COVPDB

Ligand

Ligand Name: saxagliptin M2
Ligand Type: non-polymer
Ligand ID: COVPDB617	PubChem: 11751172
Synonym(s): hydroxy saxagliptin 2-azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2s)-2-amino-2-(3,5-dihydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1s,3s,5s)- 841302-24-7 acn-028865 bms-510849 show 4 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@]12C[C@H]3C[C@](O)(C[C@](O)(C3)C1)C2
Standard InChI: InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10-,11-,12+,13+,14-,16-,17+,18-/m1/s1
Molecular Formula: C18H25N3O3	Mol. Weight: 331.1896	logP: 0.27288
HBD: 3	HBA: 5
#Rotatable Bonds: 2	TPSA: 110.58