Ligand

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Ligand Name:   6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
HET ID:   FWA PubChem:   134814234
DrugBank:   - ChEMBL:   CHEMBL4213025
Canonical SMILES:   CN1CCN(CC1)c1cc(Cl)cc2c1nc(n2Cc1cc(C)c(c(c1)C)F)N1CC2(C1)CNC2
Standard InChI:   InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3
Molecular Formula:   C26H32ClFN6 Mol. Weight:   483.0239 Heavy Atoms:   34
Charge:   0 Is Chiral:   False logP:   4.052
HBD:   1 HBA:   6 TPSA:   39.57
#Bonds:   39 #Rotatable Bonds:   4 Shape Complexity:   0.5
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
GTPase Hras P01112 (RASH_HUMAN) Homo sapiens 6D55
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