Ligand
Ligand Name:   5-({5-[(1-carboxy-4-chloro-3-oxobutan-2-yl)carbamoyl]-5-phenylpentyl}sulfamoyl)-2-hydroxybenzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB278 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)CC(NC(=O)C(CCCCNS(=O)(=O)C1=CC(C(O)=O)=C(O)C=C1)C1=CC=CC=C1)C(=O)CCl
Standard InChI:   InChI=1S/C24H27ClN2O9S/c25-14-21(29)19(13-22(30)31)27-23(32)17(15-6-2-1-3-7-15)8-4-5-11-26-37(35,36)16-9-10-20(28)18(12-16)24(33)34/h1-3,6-7,9-10,12,17,19,26,28H,4-5,8,11,13-14H2,(H,27,32)(H,30,31)(H,33,34)
Molecular Formula:   C24H27ClN2O9S Mol. Weight:   554.11255 logP:   2.0902
HBD:   5 HBA:   7
#Rotatable Bonds:   15 TPSA:   187.17

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Caspase-1 P29466 (CASP1_HUMAN) Homo sapiens (Human) 1RWV 5PH
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