| Reaction Details |
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 | Report a problem with these data |
| Target | 1,3-beta-glucan synthase |
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| Ligand | BDBM50080029 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1809543 (CHEMBL4309003) |
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| IC50 | 52000±n/a nM |
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| Citation |  Burnell, ES; Irvine, M; Fang, G; Sapkota, K; Jane, DE; Monaghan, DT Positive and Negative Allosteric Modulators of N-Methyl-d-aspartate (NMDA) Receptors: Structure-Activity Relationships and Mechanisms of Action. J Med Chem62:3-23 (2019) [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-glucan synthase component GSC2 | Beta-1,3-glucan synthase catalytic subunit | FKS2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 217615.31 |
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| Organism: | Candida glabrata |
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| Description: | ChEMBL_18077 |
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| Residue: | 1897 |
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| Sequence: | MSYDQGGNGNWQNTDPNGNYYYNGAENNEFYDQDYASQQPEQQQGGEGYYDEYGQPNYNY
MNDPQQGQMPQQQPGGYDNDGYYDSYYNNQMNAGVGNGLGPDQTNFSDFSSYGPPPFQNN
QANYTPSQLSYSNNGMGSNGMNMSGSSTPVYGNYDPNAIAMTLPNDPYPAWTADPQSPVS
IEQIEDVFIDLTNKFGFQRDSMRNIFDLFMTLLDSRTSRMSPDQALLSVHADYIGGDTAN
YKKWYFAAQLDMDDEVGFRNMNLGKLSRKARKAKKKNKKAMEEANPEDAAEVLNKIEGDN
SLEASDFRWKTKMNMLTPIERVRQVALYMLIWGEANQVRFTSECLCFIYKCASDYLESPL
CQQRTEPIPEGDYLNRVITPIYQFIRNQVYEIVDGRYVKREKDHNKIIGYDDVNQLFWYP
EGITKIVLEDGTKLTDIPSEERYLRLGEVAWNDVFFKTYKETRTWLHLVTNFNRIWIMHV
SVYWMYVAYNSPTFYTHNYQQLVNNQPVPAYRWASAALAGTVASAIQLFATVCEWWFVPR
KWAGAQHLSRRFWFLCGILGVNLGPLIFVFAYEKDTVQSKAGHAVAAVTFFIAVATVLFF
SIMPLGGLFTSYMQKSSRRYVASQTFTASFAPLQGLDRWLSYLVWVTVFAAKYSESYFFL
ILSLRDPIRILSTTTMRCTGEYWWGSKLCRHQSKIVLGFMIATDFILFFLDTYLWYIVVN
TVFSVGKSFYLGISILTPWRNIFTRLPKRIYSKILATTDMEIKYKPKVLISQIWNAIIIS
MYREHLLAIDHVQKLLYHQVPSEIEGKRTLRAPTFFVSQDDNNFETEFFPRNSEAERRIS
FFAQSLATPMPEPLPVDNMPTFTVLTPHYSERILLSLREIIREDDQFSRVTLLEYLKQLH
PVEWECFVKDTKILAEETAAYENEEPQDPEKSDALKTQIDDLPFYCIGFKSAAPEYTLRT
RIWASLRSQTLYRTVSGFMNYARAIKLLYRVENPEIVQMFGGNAEGLERELEKMARRKFK
FLVSMQRLAKFKPHELENTEFLLRAYPDLQIAYLDEEPPLNEGEEPRIYSALIDGHCEML
ENGRRRPKFRVQLSGNPILGDGKSDNQNHALIFYRGEYIQLIDANQDNYLEECLKIRSVL
AEFEELNAEPVYPYTPGVKYEDQKTNHPVAIVGAREYIFSENSGVLGDVAAGKEQTFGTL
FARTLAQIGGKLHYGHPDFINATFMTTRSGLSKAQKGLHLNEDIYAGMNALLRGGRIKHC
EYYQCGKGRDLGFGTILNFTTKIGAGMGEQMLSREYYYLGTQLPVDRFLTFYYAHPGFHL
NNLFIQLSLQMFMLTLVNLHALAHESILCIYDRNKPKTDVLYPIGCYNFSPAIDWIRRYT
LSIFIVFWIAFVPIVVQELIERGLWKATQRFFRHILSLSPMFEVFAGQIYSAALLSDMTV
GGARYISTGRGFATSRIPFSILYSRFASSAIYMGARSMLMLLFGTVAHWQAPLLWFWASL
SALLFSPFIFNPHQFSWEDFFLDYRDYIRWLSRGNNKYHKNSWIGYVRMARSRITGFKRK
LIGDDSEKAAGDANRAHRTNLILAELIPTAINAGSCFIGFTFINAQTGVKATDDDRVNSV
LRVVLCTLGPIAVDVGVLFFCLGMSCCSGPLFGMCCKKTGAVMAAVAHGVSVVIHIGFFI
VMWVLEGFNFTRMLVGVATVIQCQRFIFQLMTILLLTREFKNDHANTAFWTGKWYGSGFG
YMAWTQPMRELTAKVIEMSEFAADFVLGHVILFAQFPVLCIPAIDKFHSIMLFWLKPSRH
IRPPIYSLKQSRLRKRMVKRYLTLYIIIFLVFAGAIVGPAVAASHVPQDIGHTLTGPFHN
IVQPRNKSNNDTGLQISTYSNHYYTHTPSLKTWSTIK
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| BDBM50080029 |
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| n/a |
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| Name | BDBM50080029 |
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| Synonyms: | 4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol | 4-[(1R,2S)-3-(4-Benzyl-piperidin-1-yl)-1-hydroxy-2-methyl-propyl]-phenol | 4-[(R)-3-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-2-methyl-propyl]-phenol | CHEMBL305195 | Ro 25-6981 | Ro-25-6981 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29NO2 |
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| Mol. Mass. | 339.4712 |
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| SMILES | C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| |
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| Structure | 
|
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