Ligand
Ligand Name:   RWJ-30353
Ligand Type:   peptide-like
Ligand ID:   COVPDB4 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)C(=O)[C@@H]1CCCN1
Standard InChI:   InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)25(36)34(26(37)20-11-6-14-31-20)21(12-7-15-32-27(29)30)23(35)24-33-19-10-4-5-13-22(19)38-24/h1-5,8-10,13,18,20-21,31H,6-7,11-12,14-16,28H2,(H4,29,30,32)/t18-,20+,21+/m1/s1
Molecular Formula:   C27H33N7O3S Mol. Weight:   535.2366 logP:   1.78807
HBD:   5 HBA:   8
#Rotatable Bonds:   11 TPSA:   167.29

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) 1TBZ 00Q Ki : 0.16 nM PDBBind SHOW