Ligand name: Olcegepant
PDB ligand accession: 3N6
DrugBank: DB04869
PubChem: 6918509
ChEMBL: CHEMBL207197
InChI Key: ITIXDWVDFFXNEG-JHOUSYSJSA-N
SMILES: NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1
Drug action: n/a

List of small molecule binding-associated PTMs for Q16602

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
ASN 123 N-linked_glycosylation