Ligand
Ligand Name:   PHCH2OCO-D-DPA-PRO-BOROMPG
Ligand Type:   peptide-like
Ligand ID:   COVPDB1341 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COCCC[C@H](NC(=O)c1cccn1C(=O)[C@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)B(O)O
Standard InChI:   InChI=1S/C30H37BN4O7/c1-41-19-9-15-25(31(39)40)32-28(36)24-14-8-16-35(24)29(37)27(33-30(38)34-17-20-42-21-18-34)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-14,16,25-27,39-40H,9,15,17-21H2,1H3,(H,32,36)(H,33,38)/t25-,27+/m0/s1
Molecular Formula:   C30H37BN4O7 Mol. Weight:   576.2755 logP:   1.9078
HBD:   4 HBA:   8
#Rotatable Bonds:   12 TPSA:   142.36

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Prothrombin P00734 (THRB_HUMAN) Homo sapiens (Human) 1AI8 T42
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