Target
1,3-beta-glucan synthase
Ligand
BDBM50417554
Substrate
n/a
Meas. Tech.
ChEMBL_472361 (CHEMBL952164)
IC50
0.877±n/a nM
Citation
 Paderu, PGarcia-Effron, GBalashov, SDelmas, GPark, SPerlin, DS Serum differentially alters the antifungal properties of echinocandin drugs. Antimicrob Agents Chemother 51:2253-6 (2007) [PubMed]  Article 
Target
Name:
1,3-beta-glucan synthase
Synonyms:
GSL2 | Glucan synthase
Type:
PROTEIN
Mol. Mass.:
189382.66
Organism:
Candida albicans
Description:
ChEMBL_19912
Residue:
1640
Sequence:
MFDYLMRLLDSRTSRLGPTHALRSIHADYIGGMNSNFRKWYFAAQLDIDDFVGFDNLAKNGKIKGSNDPVATLEQAESQWSTNMLALSPTDSVIQLAIYLLIWGEANNIRFMPECICFIFKCCNDFYFSIDPDTPVTTVTPSFLDHIITPLYNFYRDQSYILVDGKYRRRDKDHESVIGYDDMNQLFWYSKGLERLVLADKKSRLMSLPPGERYEELNQVLWNRVFYKTFKENRGWSHVLVNFHRVWIIHSAVFWYYTAFNSPTLYTKNYQPALDNQPTTQARLSVLAFGGVVAIVIDIISLLFELRFIPRKWTGAQPVSKRLALLILALILNVGPSVYLFMFIPLNVQNTVGLVISAFQFSFSVIMVLYLSTVPLGRLFSKKPKANDRRFLPQRSFVTNFYSLAEGDRVASYGLWFAIFVSKFIESYFFLTLSLRDPVRELSIMKMSRCAGEVWLGNWFCTRQPTIVLGLIYLTDLVLFILDTYLWYIVWNTVFSVCRSFYIGVSIWTPWRNIFSRLPKRIFSKIISVSGDKNIKSKLLVSQVWNSIIISMYREHLISLEHVQKLIYKQIDNPGVEGDSVLKEPIFFVSQEDQTIKSSLFQDQAEAQRRITFFAQSLSTPMPEVGPVHLMPSFTVLIPHYSEKITLSLREIIREEEQYSHVTMLEYLKSLHPLEWSCFVKDTKLLAEEFETDSSSAEIKREKLDDLPYYSVGFKVATPEYILRTRIWASLRSQTLYRTISGFMNYSRAIKLLFDVENPDSTKFGTENDKLEQAAIMAHRKFRIITSMQRLKYFTPEEKENTEFLLRAYPELQICYLDEEVDEASGEIVYYSALVDGSCAIMENGEREPKYRIRLSGNPILGDGKSDNQNHSLIFCRGEYIQLVDANQDNYLEECLKIRSILAEFEEATFPLDPYSTDLEGTESVYPVAIIGTREYIFSENIGILGDVAAGKEQTFGTLFARTLAHIGGKLHYGHPDFLNGIFMTTRGGVSKAQKGLHLNEDIYAGMNVVLRGGRIKHCEYMQCGKGRDLGFGSILNFTTKIGAGMGEQMLSREYFYMGTQLPLDRFLSFYYAHSGFHLNNLFIMLSIHLFLLVGANLAALTSESTICEYDRFRPITDPKRPHGCYNLIPVVHWLQRCIFSIFIVFVISFVPLAVQELTERGFYKAITRLGKQFASFSPLFEVFVCKIYAHSLSSDISIGGARYLATGRGFATIRVPFATLYSRFAVESLYYGSICGLLIFYCSLSMWKLQLLYFWITILGLLICPFLYNPNQFSWNDFFLDYKECIQWFYRGNSKPRLSSWINFTRLKRSRIVGVKSKRYSINEEIKVVSEVKPSRFKLIISESFLQLCVITLVGLAYLFTNSQNGSRGTYPVNSILRILIISFVPIGVNLVILIACFVVSISIGPIFTLFCKKFPSFVAAIAHLLAVANHVFFFELLWLFQNWNFSVTVLGFALSALIQCWFLQMMTILLVSREFRHDRSNRSWWSGKWATAGLGWYIITQPMREAVCKLSEMSYFAGDLVATHIILFAQIPILLIPYADKWHTLMLFWLKPGNQIRPRILSKRQKRRRRFQANLYLLIFLLGLILFSSIFVLPLIATKYFDIEFSEYIPEFFHPLFQPYDAPTNSKGLKKKLEIKHY
  
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: