Ligand
Ligand Name:   N-[3‐[(2‐aminoethyl)disulfanyl]-1-oxopropyl]-tetrahydro-beta-carboline
Ligand Type:   non-polymer
Ligand ID:   COVPDB1092 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   NCCSSCCC(=O)N1CCc2c(C1)[nH]c1ccccc21
Standard InChI:   InChI=1S/C16H21N3OS2/c17-7-10-22-21-9-6-16(20)19-8-5-13-12-3-1-2-4-14(12)18-15(13)11-19/h1-4,18H,5-11,17H2
Molecular Formula:   C16H21N3OS2 Mol. Weight:   335.1126 logP:   2.7828
HBD:   2 HBA:   4
#Rotatable Bonds:   6 TPSA:   62.12

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Interleukin-2 P60568 (IL2_HUMAN) Homo sapiens (Human) 1NBP MHC
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