Ligand

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Ligand Name:   [2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
HET ID:   BWK PubChem:   137332070
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]NC(=O)Cc1[nH+]nnn1C
Standard InChI:   InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2
Molecular Formula:   C4H10N6O++ Mol. Weight:   158.1618 Heavy Atoms:   11
Charge:   2 Is Chiral:   False logP:   -3.1643
HBD:   3 HBA:   5 TPSA:   101.59
#Bonds:   15 #Rotatable Bonds:   3 Shape Complexity:   0.5
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 4D Q6B0I6 (KDM4D_HUMAN) Homo sapiens 6ETE
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