Reaction Details |
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Target | Coagulation factor X |
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Ligand | BDBM26356 |
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Substrate/Competitor | BDBM12658 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 7.4±n/a |
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Temperature | 295.15±n/a K |
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IC50 | 13700±n/a nM |
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Citation | Shi, Y; Sitkoff, D; Zhang, J; Klei, HE; Kish, K; Liu, EC; Hartl, KS; Seiler, SM; Chang, M; Huang, C; Youssef, S; Steinbacher, TE; Schumacher, WA; Grazier, N; Pudzianowski, A; Apedo, A; Discenza, L; Yanchunas, J; Stein, PD; Atwal, KS Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors. J Med Chem51:7541-51 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Coagulation factor X |
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Name: | Coagulation factor X |
Synonyms: | Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor |
Type: | Enzyme |
Mol. Mass.: | 54726.60 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 488 |
Sequence: | MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEE
TCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKN
CELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
KRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQE
CKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGE
AVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGI
VSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSG
GPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPE
VITSSPLK
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BDBM26356 |
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BDBM12658 |
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Name | BDBM26356 |
Synonyms: | indazol-7-yl compound, 17 | methyl (2Z)-2-cyano-3-(1H-indazol-7-ylamino)-3-{[(3S)-2-oxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]azepan-3-yl]amino}prop-2-enoate |
Type | Small organic molecule |
Emp. Form. | C24H29N7O4 |
Mol. Mass. | 479.5316 |
SMILES | COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c[nH]nc12 |r,w:25.27| |
Structure |
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