Reaction Details Report a problem with these data
Target
Hepatitis A virus cellular receptor 2
Ligand
BDBM50579455
Substrate
n/a
Meas. Tech.
ChEMBL_2135392 (CHEMBL4845002)
Ki
550±n/a nM
Citation
 Rietz, TA; Teuscher, KB; Mills, JJ; Gogliotti, RD; Lepovitz, LT; Scaggs, WR; Yoshida, K; Luong, K; Lee, T; Fesik, SW Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J Med Chem 64:14757-14772 (2021) [PubMed]  Article 
Target
Name:
Hepatitis A virus cellular receptor 2
Synonyms:
CD_antigen=CD366 | HAVCR2 | HAVR2_HUMAN | HAVcr-2 | Hepatitis A virus cellular receptor 2 | T-cell immunoglobulin and mucin domain-containing protein 3 | T-cell immunoglobulin mucin receptor 3 | T-cell membrane protein 3 | TIM-3 | TIM3 | TIMD-3 | TIMD3
Type:
PROTEIN
Mol. Mass.:
33391.41
Organism:
Homo sapiens
Description:
ChEMBL_119972
Residue:
301
Sequence:
MFSHLPFDCVLLLLLLLLTRSSEVEYRAEVGQNAYLPCFYTPAAPGNLVPVCWGKGACPVFECGNVVLRTDERDVNYWTSRYWLNGDFRKGDVSLTIENVTLADSGIYCCRIQIPGIMNDEKFNLKLVIKPAKVTPAPTRQRDFTAAFPRMLTTRGHGPAETQTLGSLPDINLTQISTLANELRDSRLANDLRDSGATIRIGIYIGAGICAGLALALIFGALIFKWYSHSKEKIQNLSLISLANLPPSGLANAVAEGIRSEENIYTIEENVYEVEEPNEYYCYVSSRQQPSQPLGCRFAMP
  
Inhibitor
Name:
BDBM50579455
Synonyms:
CHEMBL4873816
Type:
Small organic molecule
Emp. Form.:
C17H13Cl2N5O3S
Mol. Mass.:
438.288
SMILES:
Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl
Structure:
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