Ligand
Ligand Name:   4-{2,3-dichloro-4-[(2E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenoxy}butanoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB199 PubChem:   122226470
Synonym(s):  
  •   4-[2,3-dichloro-4-[3-(1h-imidazole-2-yl)acryloyl]phenoxy]butanoic acid
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)CCCOc1ccc(C(=O)\C=C\c2ncc[nH]2)c(Cl)c1Cl
Standard InChI:   InChI=1S/C16H14Cl2N2O4/c17-15-10(11(21)4-6-13-19-7-8-20-13)3-5-12(16(15)18)24-9-1-2-14(22)23/h3-8H,1-2,9H2,(H,19,20)(H,22,23)/b6-4+
Molecular Formula:   C16H14Cl2N2O4 Mol. Weight:   368.03305 logP:   3.8562
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) 4ROL 3U7
-
-
SHOW