| Reaction Details |
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 | Report a problem with these data |
| Target | Coagulation factor VII/Tissue factor |
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| Ligand | BDBM50324743 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_651369 (CHEMBL1227189) |
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| Ki | >33000±n/a nM |
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| Citation |  Anselm, L; Banner, DW; Benz, J; Zbinden, KG; Himber, J; Hilpert, H; Huber, W; Kuhn, B; Mary, JL; Otteneder, MB; Panday, N; Ricklin, F; Stahl, M; Thomi, S; Haap, W Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate. Bioorg Med Chem Lett20:5313-9 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Coagulation factor VII/Tissue factor |
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| Name: | Coagulation factor VII/Tissue factor |
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| Synonyms: | Coagulation factor III/Factor VIIa (fVIIa) | Coagulation factor III/VII |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 69535 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Tissue factor |
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| Synonyms: | CD_antigen=CD142 | Coagulation factor III | Coagulation factor VII/tissue factor | F3 | TF | TF_HUMAN | Thromboplastin | Tissue factor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 33067.61 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_936735 |
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| Residue: | 295 |
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| Sequence: | METPAWPRVPRPETAVARTLLLGWVFAQVAGASGTTNTVAAYNLTWKSTNFKTILEWEPK
PVNQVYTVQISTKSGDWKSKCFYTTDTECDLTDEIVKDVKQTYLARVFSYPAGNVESTGS
AGEPLYENSPEFTPYLETNLGQPTIQSFEQVGTKVNVTVEDERTLVRRNNTFLSLRDVFG
KDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDKGENYCFSVQAVIPSRTVNRKSTDSPVE
CMGQEKGEFREIFYIIGAVVFVVIILVIILAISLHKCRKAGVGQSWKENSPLNVS
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| Component 2 |
| Name: | Coagulation factor VII |
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| Synonyms: | Eptacog alfa | F7 | FA7_HUMAN | Factor VIIa | Factor VIIa (fVIIa) | Proconvertin | SPCA | Thrombin and coagulation factor VII | serum prothrombin conversion accelerator |
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| Type: | Enzyme |
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| Mol. Mass.: | 51599.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 466 |
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| Sequence: | MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRR
ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGS
CKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSL
LADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGG
TLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTN
HDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVL
NVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTG
IVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
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| BDBM50324743 |
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| n/a |
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| Name | BDBM50324743 |
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| Synonyms: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} | (3R,4R)-N3-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-3,4-dicarboxamide | CHEMBL1221913 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H21ClF3N5O3 |
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| Mol. Mass. | 519.903 |
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| SMILES | FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r| |
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| Structure | 
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