Ligand

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Ligand Name:   (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
HET ID:   AVR PubChem:   45490005
DrugBank:   - ChEMBL:   CHEMBL1231102
Canonical SMILES:   C[C@H](C(=O)c1c(nn2c1cccc2)C(C)C)N
Standard InChI:   InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3/t9-/m1/s1
Molecular Formula:   C13H17N3O Mol. Weight:   231.29358 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   2.6879
HBD:   1 HBA:   4 TPSA:   60.39
#Bonds:   19 #Rotatable Bonds:   3 Shape Complexity:   0.3846154
Stereocomplexity:   0.07692308
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Macrophage migration inhibitory factor P14174 (MIF_HUMAN) Homo sapiens 3IJJ
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