Ligand
Ligand Name:   4-{2-chloro-4-[(2E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenoxy}butanoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB200 PubChem:   122226471
Synonym(s):  
  •   chembl4445832
  • 4-[2-chloro-4-[3-(1h-imidazole-2-yl)acryloyl]phenoxy]butanoic acid
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4445832
Canonical SMILES:   OC(=O)CCCOc1ccc(cc1Cl)C(=O)\C=C\c1ncc[nH]1
Standard InChI:   InChI=1S/C16H15ClN2O4/c17-12-10-11(13(20)4-6-15-18-7-8-19-15)3-5-14(12)23-9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,18,19)(H,21,22)/b6-4+
Molecular Formula:   C16H15ClN2O4 Mol. Weight:   334.07202 logP:   3.2028
HBD:   2 HBA:   4
#Rotatable Bonds:   8 TPSA:   92.28

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit alpha P69905 (HBA_HUMAN) Homo sapiens (Human) 4ROM 3U8
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