Ligand
Ligand Name:   Z-d-Dpa-Pro-Mpgp(OPh)2
Ligand Type:   peptide-like
Ligand ID:   COVPDB1223 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1OP(=O)(Oc2ccccc2)[C@@H](CCCOC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C(c4ccccc4)c5ccccc5)NC(=O)OCc6ccccc6
Standard InChI:   InChI=1S/C45H48N3O8P/c1-53-32-18-30-40(57(52,55-37-25-13-5-14-26-37)56-38-27-15-6-16-28-38)46-43(49)39-29-17-31-48(39)44(50)42(47-45(51)54-33-34-19-7-2-8-20-34)41(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h2-16,19-28,39-42H,17-18,29-33H2,1H3,(H,46,49)(H,47,51)/t39-,40-,42+/m0/s1
Molecular Formula:   C45H48N3O8P Mol. Weight:   789.31793 logP:   8.3245
HBD:   2 HBA:   8
#Rotatable Bonds:   18 TPSA:   132.5

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) 1H8I PHV
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