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Target
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S]
Ligand
BDBM257305
Substrate
n/a
Meas. Tech.
Km ATP LanthaScreen Assay
pH
8.5±n/a
Temperature
298.15±n/a K
IC50
0.71±n/a nM
Comments
extracted
Citation
 Miller, M; Basu, K; DeMong, D; Scott, J; Li, W; Stamford, A; Poirer, M; Tempest, P Compounds inhibiting leucine-rich repeat kinase enzyme activity US Patent  US9493440 Publication Date 11/15/2016 
Target
Name:
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S]
Synonyms:
LRRK2 | LRRK2_HUMAN | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (G2019S) | Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) | PARK8
Type:
Protein
Mol. Mass.:
177347.59
Organism:
Homo sapiens (Human)
Description:
Human LRRK2 variant (970-2527aa) with G2019S mutation
Residue:
1558
Sequence:
HSDSISSLASEREYITSLDLSANELRDIDALSQKCCISVHLEHLEKLELHQNALTSFPQQLCETLKSLTHLDLHSNKFTSFPSYLLKMSCIANLDVSRNDIGPSVVLDPTVKCPTLKQFNLSYNQLSFVPENLTDVVEKLEQLILEGNKISGICSPLRLKELKILNLSKNHISSLSENFLEACPKVESFSARMNFLAAMPFLPPSMTILKLSQNKFSCIPEAILNLPHLRSLDMSSNDIQYLPGPAHWKSLNLRELLFSHNQISILDLSEKAYLWSRVEKLHLSHNKLKEIPPEIGCLENLTSLDVSYNLELRSFPNEMGKLSKIWDLPLDELHLNFDFKHIGCKAKDIIRFLQQRLKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYSIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
  
Inhibitor
Name:
BDBM257305
Synonyms:
US9493440, 149
Type:
Small organic molecule
Emp. Form.:
C19H20FN5O2
Mol. Mass.:
369.3928
SMILES:
CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: