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Target
Serine/threonine-protein kinase haspin
Ligand
BDBM50603990
Substrate
n/a
Meas. Tech.
ChEMBL_2245823 (CHEMBL5160033)
IC50
>10000±n/a nM
Citation
 Taft, BR; Yokokawa, F; Kirrane, T; Mata, AC; Huang, R; Blaquiere, N; Waldron, G; Zou, B; Simon, O; Vankadara, S; Chan, WL; Ding, M; Sim, S; Straimer, J; Guiguemde, A; Lakshminarayana, SB; Jain, JP; Bodenreider, C; Thompson, C; Lanshoeft, C; Shu, W; Fang, E; Qumber, J; Chan, K; Pei, L; Chen, YL; Schulz, H; Lim, J; Abas, SN; Ang, X; Liu, Y; Angulo-Barturen, I; Jiménez-Díaz, MB; Gamo, FJ; Crespo-Fernandez, B; Rosenthal, PJ; Cooper, RA; Tumwebaze, P; Aguiar, ACC; Campo, B; Campbell, S; Wagner, J; Diagana, TT; Sarko, C Discovery and Preclinical Pharmacology of INE963, a Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cures in Uncomplicated Malaria. J Med Chem 65:3798-3813 (2022) [PubMed] 
Target
Name:
Serine/threonine-protein kinase haspin
Synonyms:
GSG2 | Germ cell-specific gene 2 protein | H-haspin | HASPIN | HASP_HUMAN | Haploid germ cell-specific nuclear protein kinase
Type:
PROTEIN
Mol. Mass.:
88531.28
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1510616
Residue:
798
Sequence:
MAASLPGPGSRLFRTYGAADGRRQRRPGREAAQWFPPQDRRRFFNSSGSSDASIGDPSQSDDPDDPDDPDFPGSPVRRRRRRPGGRVPKDRPSLTVTPKRWKLRARPSLTVTPRRLGLRARPPQKCSTPCGPLRLPPFPSRDSGRLSPDLSVCGQPRDGDELGISASLFSSLASPCPGSPTPRDSVISIGTSACLVAASAVPSGLHLPEVSLDRASLPCSQEEATGGAKDTRMVHQTRASLRSVLFGLMNSGTPEDSEFRADGKNMRESCCKRKLVVGNGPEGPGLSSTGKRRATGQDSCQERGLQEAVRREHQEASVPKGRIVPRGIDRLERTRSSRKSKHQEATETSLLHSHRFKKGQKLGKDSFPTQDLTPLQNVCFWTKTRASFSFHKKKIVTDVSEVCSIYTTATSLSGSLLSECSNRPVMNRTSGAPSSWHSSSMYLLSPLNTLSISNKKASDAEKVYGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK
  
Inhibitor
Name:
BDBM50603990
Synonyms:
CHEMBL5176864
Type:
Small organic molecule
Emp. Form.:
C18H22FN5OS
Mol. Mass.:
375.464
SMILES:
COc1cc(F)ccc1-c1c(C)nc2sc(nn12)N1CCC(C)(N)CC1 |(-7.21,-1.43,;-5.67,-1.43,;-4.9,-.09,;-5.66,1.24,;-4.89,2.57,;-5.66,3.91,;-3.36,2.58,;-2.58,1.25,;-3.36,-.09,;-2.58,-1.43,;-3.38,-2.75,;-4.92,-2.75,;-2.37,-3.91,;-.95,-3.31,;.55,-3.65,;1.34,-2.33,;.33,-1.17,;-1.08,-1.77,;2.88,-2.2,;3.53,-.81,;5.06,-.67,;5.95,-1.93,;7.03,-.85,;7.21,-2.82,;5.29,-3.33,;3.76,-3.46,)|
Structure:
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