Ligand

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Ligand Name:   [2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
HET ID:   I1L PubChem:   137332073
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]NC(=O)Cc1n[nH]nn1
Standard InChI:   InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1
Molecular Formula:   C3H7N6O+ Mol. Weight:   143.12727 Heavy Atoms:   10
Charge:   1 Is Chiral:   False logP:   -2.5938
HBD:   3 HBA:   5 TPSA:   111.2
#Bonds:   14 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
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 6ETS
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