Reaction Details Report a problem with these data
Target
1,3-beta-glucan synthase
Ligand
BDBM50478216
Substrate
n/a
Meas. Tech.
ChEMBL_683508 (CHEMBL1286423)
IC50
0.171±n/a nM
Citation
 Garcia-Effron, G; Kontoyiannis, DP; Lewis, RE; Perlin, DS Caspofungin-resistant Candida tropicalis strains causing breakthrough fungemia in patients at high risk for hematologic malignancies. Antimicrob Agents Chemother 52:4181-3 (2008) [PubMed]  Article 
Target
Name:
1,3-beta-glucan synthase
Synonyms:
1,3-beta-D-glucan synthase subunit 1 | FKS1
Type:
PROTEIN
Mol. Mass.:
218939.56
Organism:
Candida tropicalis
Description:
ChEMBL_118438
Residue:
1904
Sequence:
MSYNDNNNNHYYDPNQQGGVPPQQGDGYYQQQYDDMSQQQQYDNMGQQPHQQDYYDPNVQYNQQPYDMDGYQDQAQYGGQPMNAQGYNADPEAFSDFSYGGQTPGTPGYDQYGTQYTPSQMSYGGDPRSSGASTPIYGGQGQGYDPTQFNMSSNLPYPAWSADPQAPIKVEHIEDIFIDLTNKFGFQRDSMRNMFDYFMTLLDSRSSRMSPAQALLSLHADYIGGDNANYRKWFFASQQDLDDSLGFANMTLGKLGRKARKASKKSKKARKAAEEHGEDVDALANELEGDYSLEAAEIRWKAKMNSLTPEERVRDIALYLLLWGEANQVRFTPECLCYIYKTAMDYLQSPLCQQRQEPVPEGDYLNRVITPLYRFIRSQVYEIYDGRFVKREKDHNKVIGYDDVNQLFWYPEGISRIMFEDGTRLVDIPQEERFLRLGEVEWKNVFFKTYKEIRTWLHFITNFNRIWIIHGTIYWMYTAYNSPTLYTKHYVQTRNQQPLASSRWAACAIGGVFACLVQIFATLFEWMFVPREWAGAQHLTRRMMFLILIFLANLVPPVYTFKVTKLVLYSKSAYAVSVVGFFIAIATLVFFAVMPLGGLFTSYMNKRSRRYISSQTFTASYIKLHGLDMWMSYLLWFLVFLAKLVESYFFLTLSLRDPIRNLSTMTMRCVGEVWYGDVVCRNQAKIVLGLMYLVDLLLFFLDTYMWYIICNCIFSIGRSFYLGISILTPWRNIFTRLPKRIYSKILATTEMEIKYKPKVLISQIWNAIVISMYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRISFFAQSLATPMPEPLPVDNMPTFTVFTPHYSEKILLSLREIIREDDQFSRVTLLEYLKQLHPVEWDCFVKDTKILAEETAAYENGDDSEKLSEDGLKSKIDDLPFYCIGFKSAAPEYTLRTRIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPELVQYFGGDPEGLELALERMARRKFRFLVSMQRLSKFKDDEMENAEFLLRAYPDLQIAYLDEEPALNEDEEPRVYSSLIDGHCEMLENGRRRPKFRVQLSGNPILGDGKSDNQNHAVIFHRGEYIQLIDANQDNYLEECLKIRSVLAEFEELNVEHVNPYAPTMKNDENNIKKDPVAFLGAREYIFSENSGVLGDVAAGKEQTFGTLFARTLAQIGGKLHYGHPDFLNATFMLTRGGVSKAQKGLHLNEDIYAGMNAMMRGGKIKHCEYYQCGKGRDLGFGSILNFTTKIGAGMGEQMLSREYFYLGTQLPLDRFLSFYYGHPGFHINNLFIQLSLQVFILVLANLNSLAHESIICSYNKDVPITDVLYPFGCYNLSPAVDWIRRYTLSIFIVFFISFIPLVVQELIERGVWKAFQRFVRHFISLSPMFEVFVAQIYSSSVFTDLTVGGARYISTGRGFATSRIPFSILYSRFADSSIYMGARLMLILLFGTVSHWQAPLLWFWASLSSLMFSPFIFNPHQFAWEDFFIDYRDFIRWLSRGNTKWHRNSWIGYVRLSRSRITGFKRKLTGDVSEKAAGDASRAHRSNVFFADFLPTLIYTAGLYVAYTFINAQTGVTSYSYEINGSTDPQEVNATLRLIICALAPVVIDCGCLAVCVGMACCAGPMLGLCCKKTGAVIAGIAHGVAVIVHIVFFIVMWVTEGFNFARMLLGLATMVYVQRLLFKFLTLCFLTREFKNDKANTAFWTGKWYNTGMGWMAFTQPSREFVAKIIEMSEFAGDFMLAHIILFCQLPILCIPLIDRWHSMMLFWLKPSRLIRPPIYSLKQARLRKRMVRKYCVLYFTVLIMLVVIIAAPAAASGQIAVDQFANIGGSGSIANGLFQPRNVSNNDTGNHKPKSYTWSFLSTRFTGTTKGYSTNPF
  
Inhibitor
Name:
BDBM50478216
Synonyms:
CHEBI:600520 | Micafungin | Mycamine
Type:
Small organic molecule
Emp. Form.:
C56H71N9O23S
Mol. Mass.:
1270.274
SMILES:
[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)c(OS(O)(=O)=O)c1)[C@H](O)CC(N)=O)NC(=O)c1ccc(cc1)-c1cc(on1)-c1ccc(OCCCCC)cc1)[C@@H](C)O
Structure:
Search PDB for entries with ligand similarity: