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Target
Cytotoxic T-lymphocyte protein 4
Ligand
BDBM50614283
Substrate
n/a
Meas. Tech.
ChEMBL_2296216
Kd
31±n/a nM
Citation
 Thakkar, R; Upreti, D; Ishiguro, S; Tamura, M; Comer, J Computational design of a cyclic peptide that inhibits the CTLA4 immune checkpoint. RSC Med Chem 14:658-670 (2023) [PubMed] 
Target
Name:
Cytotoxic T-lymphocyte protein 4
Synonyms:
CD152 | CD_antigen=CD152 | CTLA-4 | CTLA4 | Cytotoxic T-lymphocyte protein 4 | Cytotoxic T-lymphocyte-associated antigen 4
Type:
PROTEIN
Mol. Mass.:
24656.63
Organism:
Human
Description:
ChEMBL_106143
Residue:
223
Sequence:
MACLGFQRHKAQLNLATRTWPCTLLFFLLFIPVFCKAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDSDFLLWILAAVSSGLFFYSFLLTAVSLSKMLKKRSPLTTGVYVKMPPTEPECEKQFQPYFIPIN
  
Inhibitor
Name:
BDBM50614283
Synonyms:
CHEMBL5291170
Type:
Small organic molecule
Emp. Form.:
C88H136N22O26
Mol. Mass.:
1918.1532
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C |r|
Structure:
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