Reaction Details |
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Target | Substance-P receptor |
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Ligand | BDBM50154572 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_306499 (CHEMBL828104) |
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IC50 | 0.53±n/a nM |
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Citation | Evers, A; Klebe, G Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model. J Med Chem47:5381-92 (2004) [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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BDBM50154572 |
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n/a |
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Name | BDBM50154572 |
Synonyms: | 1-Amino-2-[1-(3,5-bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-ethanol | 2-[1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-acetamide | CHEMBL28055 |
Type | Small organic molecule |
Emp. Form. | C26H24F6N2O2 |
Mol. Mass. | 510.4714 |
SMILES | NC(=O)CNC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1 |
Structure |
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