Ligand
Ligand Name:   (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1513 PubChem:   25111933
Synonym(s):  
  •   db08783
  • q27097963
show 1 synonym(s)
DrugBank:   DB08783 ChEMBL:   CHEMBL1237006
Canonical SMILES:   COC(=O)[C@H](Cc1ccc(C[Se](O)=O)cc1)NC(=O)OC(C)(C)C
Standard InChI:   InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1
Molecular Formula:   C16H23NO6Se Mol. Weight:   405.06906 logP:   1.2881
HBD:   2 HBA:   5
#Rotatable Bonds:   6 TPSA:   101.93

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Tyrosine-protein phosphatase non-receptor type 1 P18031 (PTN1_HUMAN) Homo sapiens (Human) 3D9C ZYZ
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