Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50292436
Substrate
n/a
Meas. Tech.
ChEMBL_480457 (CHEMBL941112)
Ki
95000±n/a nM
Citation
 Barrow, CJ; Sun, HH Spiroquinazoline, a Novel Substance P Inhibitor with a New Carbon Skeleton, Isolated from Aspergillus flavipes J Nat Prod 57:471-476 (1994) [PubMed]  Article 
Target
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:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
  
Inhibitor
Name:
BDBM50292436
Synonyms:
CHEMBL515179 | spiroquinazoline
Type:
Small organic molecule
Emp. Form.:
C23H19N5O3
Mol. Mass.:
413.4287
SMILES:
C[C@@]12NC(=O)[C@@H](C[C@]11[C@H]3NCC(=O)N3c3ccccc13)n1c2nc2ccccc2c1=O |r,TLB:19:7:21.20:3.2,THB:8:7:21.20:3.2,22:21:3.2:7.6,4:3:21.20:7.6|
Structure:
Search PDB for entries with ligand similarity: