Reaction Details Report a problem with these data
Target
1,3-beta-glucan synthase
Ligand
BDBM50503151
Substrate
n/a
Meas. Tech.
ChEMBL_1809542 (CHEMBL4309002)
IC50
7.9±n/a nM
Citation
 Burnell, ES; Irvine, M; Fang, G; Sapkota, K; Jane, DE; Monaghan, DT Positive and Negative Allosteric Modulators of N-Methyl-d-aspartate (NMDA) Receptors: Structure-Activity Relationships and Mechanisms of Action. J Med Chem 62:3-23 (2019) [PubMed]  Article 
Target
Name:
1,3-beta-glucan synthase
Synonyms:
1,3-beta-glucan synthase component GSC2 | Beta-1,3-glucan synthase catalytic subunit | FKS2
Type:
PROTEIN
Mol. Mass.:
217615.31
Organism:
Candida glabrata
Description:
ChEMBL_18077
Residue:
1897
Sequence:
MSYDQGGNGNWQNTDPNGNYYYNGAENNEFYDQDYASQQPEQQQGGEGYYDEYGQPNYNYMNDPQQGQMPQQQPGGYDNDGYYDSYYNNQMNAGVGNGLGPDQTNFSDFSSYGPPPFQNNQANYTPSQLSYSNNGMGSNGMNMSGSSTPVYGNYDPNAIAMTLPNDPYPAWTADPQSPVSIEQIEDVFIDLTNKFGFQRDSMRNIFDLFMTLLDSRTSRMSPDQALLSVHADYIGGDTANYKKWYFAAQLDMDDEVGFRNMNLGKLSRKARKAKKKNKKAMEEANPEDAAEVLNKIEGDNSLEASDFRWKTKMNMLTPIERVRQVALYMLIWGEANQVRFTSECLCFIYKCASDYLESPLCQQRTEPIPEGDYLNRVITPIYQFIRNQVYEIVDGRYVKREKDHNKIIGYDDVNQLFWYPEGITKIVLEDGTKLTDIPSEERYLRLGEVAWNDVFFKTYKETRTWLHLVTNFNRIWIMHVSVYWMYVAYNSPTFYTHNYQQLVNNQPVPAYRWASAALAGTVASAIQLFATVCEWWFVPRKWAGAQHLSRRFWFLCGILGVNLGPLIFVFAYEKDTVQSKAGHAVAAVTFFIAVATVLFFSIMPLGGLFTSYMQKSSRRYVASQTFTASFAPLQGLDRWLSYLVWVTVFAAKYSESYFFLILSLRDPIRILSTTTMRCTGEYWWGSKLCRHQSKIVLGFMIATDFILFFLDTYLWYIVVNTVFSVGKSFYLGISILTPWRNIFTRLPKRIYSKILATTDMEIKYKPKVLISQIWNAIIISMYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRISFFAQSLATPMPEPLPVDNMPTFTVLTPHYSERILLSLREIIREDDQFSRVTLLEYLKQLHPVEWECFVKDTKILAEETAAYENEEPQDPEKSDALKTQIDDLPFYCIGFKSAAPEYTLRTRIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPEIVQMFGGNAEGLERELEKMARRKFKFLVSMQRLAKFKPHELENTEFLLRAYPDLQIAYLDEEPPLNEGEEPRIYSALIDGHCEMLENGRRRPKFRVQLSGNPILGDGKSDNQNHALIFYRGEYIQLIDANQDNYLEECLKIRSVLAEFEELNAEPVYPYTPGVKYEDQKTNHPVAIVGAREYIFSENSGVLGDVAAGKEQTFGTLFARTLAQIGGKLHYGHPDFINATFMTTRSGLSKAQKGLHLNEDIYAGMNALLRGGRIKHCEYYQCGKGRDLGFGTILNFTTKIGAGMGEQMLSREYYYLGTQLPVDRFLTFYYAHPGFHLNNLFIQLSLQMFMLTLVNLHALAHESILCIYDRNKPKTDVLYPIGCYNFSPAIDWIRRYTLSIFIVFWIAFVPIVVQELIERGLWKATQRFFRHILSLSPMFEVFAGQIYSAALLSDMTVGGARYISTGRGFATSRIPFSILYSRFASSAIYMGARSMLMLLFGTVAHWQAPLLWFWASLSALLFSPFIFNPHQFSWEDFFLDYRDYIRWLSRGNNKYHKNSWIGYVRMARSRITGFKRKLIGDDSEKAAGDANRAHRTNLILAELIPTAINAGSCFIGFTFINAQTGVKATDDDRVNSVLRVVLCTLGPIAVDVGVLFFCLGMSCCSGPLFGMCCKKTGAVMAAVAHGVSVVIHIGFFIVMWVLEGFNFTRMLVGVATVIQCQRFIFQLMTILLLTREFKNDHANTAFWTGKWYGSGFGYMAWTQPMRELTAKVIEMSEFAADFVLGHVILFAQFPVLCIPAIDKFHSIMLFWLKPSRHIRPPIYSLKQSRLRKRMVKRYLTLYIIIFLVFAGAIVGPAVAASHVPQDIGHTLTGPFHNIVQPRNKSNNDTGLQISTYSNHYYTHTPSLKTWSTIK
  
Inhibitor
Name:
BDBM50503151
Synonyms:
CHEMBL4450420
Type:
Small organic molecule
Emp. Form.:
C17H16ClFN6O3S2
Mol. Mass.:
470.929
SMILES:
Cc1ncc(CNNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Structure:
Search PDB for entries with ligand similarity: