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Target
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Ligand
BDBM593125
Substrate
n/a
Meas. Tech.
LRRK2 Enzymatic Assay
IC50
<50±n/a nM
Citation
 Bearss, DJ; Kauwe, III, JS; Mollard, AH Inhibitors of LRRK2 kinase US Patent  US11578061 Publication Date 2/14/2023 
Target
Name:
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]
Synonyms:
LRRK2 | LRRK2_HUMAN | Leucine-rich repeat kinase 2 (LRRK2 t-WT) | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) | PARK8
Type:
Protein
Mol. Mass.:
177317.56
Organism:
Homo sapiens (Human)
Description:
Human LRRK2 variant (970-2527aa)
Residue:
1558
Sequence:
HSDSISSLASEREYITSLDLSANELRDIDALSQKCCISVHLEHLEKLELHQNALTSFPQQLCETLKSLTHLDLHSNKFTSFPSYLLKMSCIANLDVSRNDIGPSVVLDPTVKCPTLKQFNLSYNQLSFVPENLTDVVEKLEQLILEGNKISGICSPLRLKELKILNLSKNHISSLSENFLEACPKVESFSARMNFLAAMPFLPPSMTILKLSQNKFSCIPEAILNLPHLRSLDMSSNDIQYLPGPAHWKSLNLRELLFSHNQISILDLSEKAYLWSRVEKLHLSHNKLKEIPPEIGCLENLTSLDVSYNLELRSFPNEMGKLSKIWDLPLDELHLNFDFKHIGCKAKDIIRFLQQRLKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYGIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
  
Inhibitor
Name:
BDBM593125
Synonyms:
4-(((1R,4R)-4-((2,2- difluoroethyl)amino)cyclohexyl) methoxy)-N-(4- morpholinophenyl)pyrimidin-2- amine | US11578061, Example 103
Type:
Small organic molecule
Emp. Form.:
C23H31F2N5O2
Mol. Mass.:
447.5213
SMILES:
FC(F)CN[C@H]1CC[C@H](COc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)CC1 |r,wU:5.4,wD:8.8,(12,-2.31,;10.67,-3.08,;10.67,-4.62,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-9.34,2.31,;-10.67,1.54,;-12,2.31,;-12,3.85,;-10.67,4.62,;-9.34,3.85,;-1.33,-.77,;5.33,,;6.67,-.77,)|
Structure:
Search PDB for entries with ligand similarity: