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 |
- |
- |
SHOW |