Ligand
Ligand Name:   N1-[(1S)-4-(carbamoylamino)-1-cyanobutyl]-N'1-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB599 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1cscc1[C@@H](C)NC(=O)C2(CCC2)C(=O)N[C@H](C#N)CCCNC(=O)N
Standard InChI:   InChI=1S/C18H25N5O3S/c1-12(13-5-9-27-11-13)22-15(24)18(6-3-7-18)16(25)23-14(10-19)4-2-8-21-17(20)26/h5,9,11-12,14H,2-4,6-8H2,1H3,(H,22,24)(H,23,25)(H3,20,21,26)/t12-,14+/m1/s1
Molecular Formula:   C18H25N5O3S Mol. Weight:   391.16782 logP:   1.55248
HBD:   4 HBA:   5
#Rotatable Bonds:   9 TPSA:   137.11

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin B P07858 (CATB_HUMAN) Homo sapiens (Human) 6AY2 C1G
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