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Ligand Download |
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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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SHOW |
| Female-specific histamine-binding protein 2 | O77421 (HBP2_RHIAP) | Rhipicephalus appendiculatus | 3G7X |
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SHOW |