Reaction Details |
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Target | Substance-P receptor |
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Ligand | BDBM50442590 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_990570 (CHEMBL2447345) |
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Ki | 0.200000±n/a nM |
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Citation | Di Fabio, R; Alvaro, G; Braggio, S; Carletti, R; Gerrard, PA; Griffante, C; Marchioro, C; Pozzan, A; Melotto, S; Poffe, A; Piccoli, L; Ratti, E; Tranquillini, E; Trower, M; Spada, S; Corsi, M Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. Bioorg Med Chem21:6264-73 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Substance-P receptor |
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Name: | Substance-P receptor |
Synonyms: | NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 46254.43 |
Organism: | Homo sapiens (Human) |
Description: | P25103 |
Residue: | 407 |
Sequence: | MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
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BDBM50442590 |
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n/a |
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Name | BDBM50442590 |
Synonyms: | CHEMBL2441372 |
Type | Small organic molecule |
Emp. Form. | C31H35F7N4O2 |
Mol. Mass. | 628.624 |
SMILES | C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN2[C@H](CCC2=O)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| |
Structure |
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