Ligand
Ligand Name:   GR133487
Ligand Type:   non-polymer
Ligand ID:   COVPDB875 PubChem:   102122247
Synonym(s):  
  •   gr-133487
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1OC(=O)[C@](C)([C@@H](CC2)OC(=O)C)[C@@H]([C@]23C)CC=C4[C@@H]3C[C@H](O)[C@]5(C)[C@]4(CO)C[C@H]6[C@H]5[C@H](C(O6)=O)CC(=O)C=C(C)C
Standard InChI:   InChI=1S/C38H54O14/c1-17(2)11-19(42)12-20-28-23(50-32(20)47)14-38(16-40)21-7-8-25-35(4,22(21)13-26(43)37(28,38)6)10-9-27(49-18(3)41)36(25,5)34(48)52-33-31(46)30(45)29(44)24(15-39)51-33/h7,11,20,22-31,33,39-40,43-46H,8-10,12-16H2,1-6H3/t20-,22+,23+,24+,25-,26+,27-,28-,29+,30-,31+,33-,35-,36+,37+,38+/m1/s1
Molecular Formula:   C38H54O14 Mol. Weight:   734.3514 logP:   0.8666
HBD:   6 HBA:   14
#Rotatable Bonds:   8 TPSA:   226.58

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) 1AWF GR4 Ki : 970 nM PDBBind SHOW