Reaction Details Report a problem with these data
Target
1,3-beta-glucan synthase
Ligand
BDBM50478215
Substrate
n/a
Meas. Tech.
ChEMBL_683506 (CHEMBL1286421)
IC50
0.306000±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:
BDBM50478215
Synonyms:
CHEBI:474180 | Cancidas | Caspofungin | Caspofungin Acetate | L-743,872 | L-743872 | MK-991
Type:
Small organic molecule
Emp. Form.:
C52H88N10O15
Mol. Mass.:
1093.3131
SMILES:
[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r|
Structure:
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