Ligand

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Ligand Name:   HISTAMINE
HET ID:   HSM PubChem:   774
DrugBank:   DB05381 ChEMBL:   CHEMBL90
Canonical SMILES:   NCCc1c[nH]cn1
Standard InChI:   InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
Molecular Formula:   C5H9N3 Mol. Weight:   111.14506 Heavy Atoms:   8
Charge:   0 Is Chiral:   False logP:   0.6112
HBD:   2 HBA:   2 TPSA:   54.7
#Bonds:   9 #Rotatable Bonds:   2 Shape Complexity:   0.4
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Female-specific histamine-binding protein 2 O77421 (HBP2_RHIAP) Rhipicephalus appendiculatus 1QFV
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Female-specific histamine-binding protein 2 O77421 (HBP2_RHIAP) Rhipicephalus appendiculatus 3G7X
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