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Target
Galectin-8
Ligand
BDBM50591131
Substrate
n/a
Meas. Tech.
ChEMBL_2199423 (CHEMBL5111939)
Kd
108700±n/a nM
Citation
 Zetterberg, FR; MacKinnon, A; Brimert, T; Gravelle, L; Johnsson, RE; Kahl-Knutson, B; Leffler, H; Nilsson, UJ; Pedersen, A; Peterson, K; Roper, JA; Schambye, H; Slack, RJ; Tantawi, S Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease. J Med Chem 65:12626-12638 (2022) [PubMed] 
Target
Name:
Galectin-8
Synonyms:
Gal-8 | LEG8_HUMAN | LGALS8 | PCTA-1 | Po66 carbohydrate-binding protein | Po66-CBP | Prostate carcinoma tumor antigen 1
Type:
PROTEIN
Mol. Mass.:
35814.23
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454625
Residue:
317
Sequence:
MMLSLNNLQNIIYNPVIPFVGTIPDQLDPGTLIVIRGHVPSDADRFQVDLQNGSSMKPRADVAFHFNPRFKRAGCIVCNTLINEKWGREEITYDTPFKREKSFEIVIMVLKDKFQVAVNGKHTLLYGHRIGPEKIDTLGIYGKVNIHSIGFSFSSDLQSTQASSLELTEISRENVPKSGTPQLRLPFAARLNTPMGPGRTVVVKGEVNANAKSFNVDLLAGKSKDIALHLNPRLNIKAFVRNSFLQESWGEEERNITSFPFSPGMYFEMIIYCDVREFKVAVNGVHSLEYKHRFKELSSIDTLEINGDIHLLEVRSW
  
Inhibitor
Name:
BDBM50591131
Synonyms:
CHEMBL5193805
Type:
Small organic molecule
Emp. Form.:
C21H16ClF3N4O4S
Mol. Mass.:
512.889
SMILES:
OC[C@H]1O[C@H](Sc2ccc(C#N)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r|
Structure:
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