Ligand

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Ligand Name:   [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
HET ID:   FHT PubChem:   145864183
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]NC(=O)[C@@H](c1n[nH]nn1)NC(=O)c1ccc(cc1)Br
Standard InChI:   InChI=1S/C10H10BrN7O2/c11-6-3-1-5(2-4-6)9(19)13-7(10(20)14-12)8-15-17-18-16-8/h1-4,7H,12H2,(H,13,19)(H,14,20)(H,15,16,17,18)/p+1/t7-/m1/s1
Molecular Formula:   C10H11BrN7O2+ Mol. Weight:   341.14404 Heavy Atoms:   20
Charge:   1 Is Chiral:   True logP:   -0.5118
HBD:   4 HBA:   7 TPSA:   140.3
#Bonds:   26 #Rotatable Bonds:   6 Shape Complexity:   0.1
Stereocomplexity:   0.1
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 6H11
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