Ligand

Download

Ligand Name:   4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
HET ID:   36X PubChem:   904112
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N=c1c2CCCc2n(c2c1CCC2)C
Standard InChI:   InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3
Molecular Formula:   C12H16N2 Mol. Weight:   188.26884 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   1.5817
HBD:   1 HBA:   2 TPSA:   28.78
#Bonds:   16 #Rotatable Bonds:   0 Shape Complexity:   0.5833333
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
E3 ubiquitin-protein ligase UHRF1 Q96T88 (UHRF1_HUMAN) Homo sapiens 4QQD
-
-
SHOW
Survival motor neuron protein Q16637 (SMN_HUMAN) Homo sapiens 4QQ6
-
-
SHOW