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Target
Prothrombin
Ligand
BDBM50541586
Substrate
n/a
Meas. Tech.
ChEMBL_1984897 (CHEMBL4618303)
Ki
>13000±n/a nM
Citation
 Yang, W; Wang, Y; Lai, A; Clark, CG; Corte, JR; Fang, T; Gilligan, PJ; Jeon, Y; Pabbisetty, KB; Rampulla, RA; Mathur, A; Kaspady, M; Neithnadka, PR; Arumugam, A; Raju, S; Rossi, KA; Myers, JE; Sheriff, S; Lou, Z; Zheng, JJ; Chacko, SA; Bozarth, JM; Wu, Y; Crain, EJ; Wong, PC; Seiffert, DA; Luettgen, JM; Lam, PYS; Wexler, RR; Ewing, WR Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J Med Chem 63:7226-7242 (2020) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50541586
Synonyms:
CHEMBL4638245
Type:
Small organic molecule
Emp. Form.:
C31H29ClF2N4O4
Mol. Mass.:
595.036
SMILES:
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22|
Structure:
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