Ligand
Ligand Name:   JBI484
Ligand Type:   non-polymer
Ligand ID:   COVPDB426 PubChem:   118018848
Synonym(s):  
  •   schembl16646882
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Fc1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C
Standard InChI:   InChI=1S/C21H17ClF2N4O/c1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)23)19(24)20(14)25-12-26-21/h2-6,11-12H,1,7-10H2
Molecular Formula:   C21H17ClF2N4O Mol. Weight:   414.1059 logP:   4.063
HBD:   0 HBA:   4
#Rotatable Bonds:   3 TPSA:   49.33

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
GTPase KRas P01116 (RASK_HUMAN) Homo sapiens (Human) 5YXZ 94C
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