Ligand

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Ligand Name:   (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
HET ID:   L1C PubChem:   25210468
DrugBank:   - ChEMBL:   CHEMBL474678
Canonical SMILES:   O=C([C@H]1C[C@](CN1C(=O)Nc1ccc(cc1)Cl)(O)c1ccc(cc1F)F)Nc1ccc(cn1)n1ccccc1=O
Standard InChI:   InChI=1S/C28H22ClF2N5O4/c29-17-4-7-19(8-5-17)33-27(39)36-16-28(40,21-10-6-18(30)13-22(21)31)14-23(36)26(38)34-24-11-9-20(15-32-24)35-12-2-1-3-25(35)37/h1-13,15,23,40H,14,16H2,(H,33,39)(H,32,34,38)/t23-,28-/m1/s1
Molecular Formula:   C28H22ClF2N5O4 Mol. Weight:   565.9552 Heavy Atoms:   40
Charge:   0 Is Chiral:   True logP:   4.3807
HBD:   3 HBA:   9 TPSA:   116.56
#Bonds:   45 #Rotatable Bonds:   8 Shape Complexity:   0.14285715
Stereocomplexity:   0.071428575
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 2W3I IC50 : 0.1 nM, IC50 : 1.32 nM BindingDB SHOW
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 2W3I IC50 : 0.1 nM Binding MOAD SHOW