Ligand
Ligand Name:   SB1494
Ligand Type:   non-polymer
Ligand ID:   COVPDB473 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN1CCN(Cc2ccc(cc2)C(=O)NCc2cccc(CO[C@@H]3CCC[C@@H]3NC(=O)C(=C\C(C)(C)C)\C#N)c2)CC1
Standard InChI:   InChI=1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/b29-20+/t30-,31+/m0/s1
Molecular Formula:   C34H45N5O3 Mol. Weight:   571.35223 logP:   4.41398
HBD:   2 HBA:   6
#Rotatable Bonds:   10 TPSA:   97.7

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Peroxisome proliferator-activated receptor gamma P37231 (PPARG_HUMAN) Homo sapiens (Human) 6IJS A9F
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