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Target
1,3-beta-glucan synthase
Ligand
BDBM50417554
Substrate
n/a
Meas. Tech.
ChEMBL_683510 (CHEMBL1286425)
IC50
27.7±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:
BDBM50417554
Synonyms:
ANIDULAFUNGIN
Type:
Small organic molecule
Emp. Form.:
C58H73N7O17
Mol. Mass.:
1140.2369
SMILES:
CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r|
Structure:
Search PDB for entries with ligand similarity: