Ligand

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Ligand Name:   [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
HET ID:   R41 PubChem:   146026046
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Clc1cc2C[C@@H](Oc2c(c1)c1ccnc(c1)N)C(=O)N1CCNCC1
Standard InChI:   InChI=1S/C18H19ClN4O2/c19-13-7-12-8-15(18(24)23-5-3-21-4-6-23)25-17(12)14(10-13)11-1-2-22-16(20)9-11/h1-2,7,9-10,15,21H,3-6,8H2,(H2,20,22)/t15-/m1/s1
Molecular Formula:   C18H19ClN4O2 Mol. Weight:   358.82205 Heavy Atoms:   25
Charge:   0 Is Chiral:   True logP:   2.5674
HBD:   2 HBA:   6 TPSA:   80.48
#Bonds:   29 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
Stereocomplexity:   0.055555556
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Ubiquitin carboxyl-terminal hydrolase 7 Q93009 (UBP7_HUMAN) Homo sapiens 6VN5
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