Reaction Details Report a problem with these data
Target
BTB/POZ domain-containing protein KCTD12
Ligand
BDBM50505537
Substrate
n/a
Meas. Tech.
ChEMBL_1822935 (CHEMBL4322699)
IC50
3180±n/a nM
Citation
 Sereikaite, V; Fritzius, T; Kasaragod, VB; Bader, N; Maric, HM; Schindelin, H; Bettler, B; Strømgaard, K Targeting the ?-Aminobutyric Acid Type B (GABA J Med Chem 62:8819-8830 (2019) [PubMed]  Article 
Target
Name:
BTB/POZ domain-containing protein KCTD12
Synonyms:
BTB/POZ domain-containing protein KCTD12 | C13orf2 | KCD12_HUMAN | KCTD12 | KIAA1778 | PFET1 | Pfetin | Predominantly fetal expressed T1 domain
Type:
PROTEIN
Mol. Mass.:
35697.33
Organism:
Homo sapiens
Description:
ChEMBL_119174
Residue:
325
Sequence:
MALADSTRGLPNGGGGGGGSGSSSSSAEPPLFPDIVELNVGGQVYVTRRCTVVSVPDSLLWRMFTQQQPQELARDSKGRFFLDRDGFLFRYILDYLRDLQLVLPDYFPERSRLQREAEYFELPELVRRLGAPQQPGPGPPPSRRGVHKEGSLGDELLPLGYSEPEQQEGASAGAPSPTLELASRSPSGGAAGPLLTPSQSLDGSRRSGYITIGYRGSYTIGRDAQADAKFRRVARITVCGKTSLAKEVFGDTLNESRDPDRPPERYTSRYYLKFNFLEQAFDKLSESGFHMVACSSTGTCAFASSTDQSEDKIWTSYTEYVFCRE
  
Inhibitor
Name:
BDBM50505537
Synonyms:
CHEMBL4542895
Type:
Small organic molecule
Emp. Form.:
C107H150N28O25S
Mol. Mass.:
2260.574
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: