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Target
Alpha-2A adrenergic receptor
Ligand
BDBM50554694
Substrate
n/a
Meas. Tech.
ChEMBL_2050317 (CHEMBL4705016)
Ki
15000±n/a nM
Citation
 Lu, J; Bart, AG; Wu, Q; Criscione, KR; McLeish, MJ; Scott, EE; Grunewald, GL Structure-Based Drug Design of Bisubstrate Inhibitors of Phenylethanolamine  J Med Chem 63:13878-13898 (2020) [PubMed]  Article 
Target
Name:
Alpha-2A adrenergic receptor
Synonyms:
ADA2A_RAT | Adra2a | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | CA2-47
Type:
PROTEIN
Mol. Mass.:
50650.57
Organism:
Rattus norvegicus
Description:
ChEMBL_104693
Residue:
465
Sequence:
MFRQEQPLAEGSFAPMGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
  
Inhibitor
Name:
BDBM50554694
Synonyms:
CHEMBL4740168
Type:
Small organic molecule
Emp. Form.:
C22H29N7O3S
Mol. Mass.:
471.576
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Structure:
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