| Reaction Details |
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 | Report a problem with these data |
| Target | 1,3-beta-glucan synthase |
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| Ligand | BDBM50417554 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_683508 (CHEMBL1286423) |
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| IC50 | 0.503±n/a nM |
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| 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 Chemother52:4181-3 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 1,3-beta-glucan synthase |
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| Name: | 1,3-beta-glucan synthase |
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| Synonyms: | 1,3-beta-D-glucan synthase subunit 1 | FKS1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 218939.56 |
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| Organism: | Candida tropicalis |
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| Description: | ChEMBL_118438 |
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| Residue: | 1904 |
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| Sequence: | MSYNDNNNNHYYDPNQQGGVPPQQGDGYYQQQYDDMSQQQQYDNMGQQPHQQDYYDPNVQ
YNQQPYDMDGYQDQAQYGGQPMNAQGYNADPEAFSDFSYGGQTPGTPGYDQYGTQYTPSQ
MSYGGDPRSSGASTPIYGGQGQGYDPTQFNMSSNLPYPAWSADPQAPIKVEHIEDIFIDL
TNKFGFQRDSMRNMFDYFMTLLDSRSSRMSPAQALLSLHADYIGGDNANYRKWFFASQQD
LDDSLGFANMTLGKLGRKARKASKKSKKARKAAEEHGEDVDALANELEGDYSLEAAEIRW
KAKMNSLTPEERVRDIALYLLLWGEANQVRFTPECLCYIYKTAMDYLQSPLCQQRQEPVP
EGDYLNRVITPLYRFIRSQVYEIYDGRFVKREKDHNKVIGYDDVNQLFWYPEGISRIMFE
DGTRLVDIPQEERFLRLGEVEWKNVFFKTYKEIRTWLHFITNFNRIWIIHGTIYWMYTAY
NSPTLYTKHYVQTRNQQPLASSRWAACAIGGVFACLVQIFATLFEWMFVPREWAGAQHLT
RRMMFLILIFLANLVPPVYTFKVTKLVLYSKSAYAVSVVGFFIAIATLVFFAVMPLGGLF
TSYMNKRSRRYISSQTFTASYIKLHGLDMWMSYLLWFLVFLAKLVESYFFLTLSLRDPIR
NLSTMTMRCVGEVWYGDVVCRNQAKIVLGLMYLVDLLLFFLDTYMWYIICNCIFSIGRSF
YLGISILTPWRNIFTRLPKRIYSKILATTEMEIKYKPKVLISQIWNAIVISMYREHLLAI
DHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRISFFAQSLATP
MPEPLPVDNMPTFTVFTPHYSEKILLSLREIIREDDQFSRVTLLEYLKQLHPVEWDCFVK
DTKILAEETAAYENGDDSEKLSEDGLKSKIDDLPFYCIGFKSAAPEYTLRTRIWASLRSQ
TLYRTVSGFMNYARAIKLLYRVENPELVQYFGGDPEGLELALERMARRKFRFLVSMQRLS
KFKDDEMENAEFLLRAYPDLQIAYLDEEPALNEDEEPRVYSSLIDGHCEMLENGRRRPKF
RVQLSGNPILGDGKSDNQNHAVIFHRGEYIQLIDANQDNYLEECLKIRSVLAEFEELNVE
HVNPYAPTMKNDENNIKKDPVAFLGAREYIFSENSGVLGDVAAGKEQTFGTLFARTLAQI
GGKLHYGHPDFLNATFMLTRGGVSKAQKGLHLNEDIYAGMNAMMRGGKIKHCEYYQCGKG
RDLGFGSILNFTTKIGAGMGEQMLSREYFYLGTQLPLDRFLSFYYGHPGFHINNLFIQLS
LQVFILVLANLNSLAHESIICSYNKDVPITDVLYPFGCYNLSPAVDWIRRYTLSIFIVFF
ISFIPLVVQELIERGVWKAFQRFVRHFISLSPMFEVFVAQIYSSSVFTDLTVGGARYIST
GRGFATSRIPFSILYSRFADSSIYMGARLMLILLFGTVSHWQAPLLWFWASLSSLMFSPF
IFNPHQFAWEDFFIDYRDFIRWLSRGNTKWHRNSWIGYVRLSRSRITGFKRKLTGDVSEK
AAGDASRAHRSNVFFADFLPTLIYTAGLYVAYTFINAQTGVTSYSYEINGSTDPQEVNAT
LRLIICALAPVVIDCGCLAVCVGMACCAGPMLGLCCKKTGAVIAGIAHGVAVIVHIVFFI
VMWVTEGFNFARMLLGLATMVYVQRLLFKFLTLCFLTREFKNDKANTAFWTGKWYNTGMG
WMAFTQPSREFVAKIIEMSEFAGDFMLAHIILFCQLPILCIPLIDRWHSMMLFWLKPSRL
IRPPIYSLKQARLRKRMVRKYCVLYFTVLIMLVVIIAAPAAASGQIAVDQFANIGGSGSI
ANGLFQPRNVSNNDTGNHKPKSYTWSFLSTRFTGTTKGYSTNPF
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| BDBM50417554 |
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| n/a |
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| Name | BDBM50417554 |
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| Synonyms: | ANIDULAFUNGIN |
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| Type | Small organic molecule |
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| Emp. Form. | C58H73N7O17 |
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| Mol. Mass. | 1140.2369 |
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| 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| |
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| Structure | 
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