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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Substance-P receptor
Species	Cavia porcellus (Guinea pig)
Gene	TACR1
Synonym	NK-1 receptor NK-1R SPR Tachykinin receptor 1
Disease	N/A for non-human GPCRs
Length	407
Amino acid sequence	MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProt	P30547
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3942
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL418124
Molecular formula	C38H42ClN5O8
IUPAC name	(4-chlorophenyl)methyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoate
Molecular weight	732.231
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	4.9
Synonyms	BDBM50002556 Benzyloxycarbonyl-Gln-D-Trp(CHO)-Phe(4-chloro-methoxy phenyl)
Inchi Key	ADKKRGJSHOWGCZ-YPKYBTACSA-N
Inchi ID	InChI=1S/C38H42ClN5O8/c1-38(2,3)52-37(50)43-29(17-18-33(40)46)34(47)41-30(20-26-21-44(23-45)32-12-8-7-11-28(26)32)35(48)42-31(19-24-9-5-4-6-10-24)36(49)51-22-25-13-15-27(39)16-14-25/h4-16,21,23,29-31H,17-20,22H2,1-3H3,(H2,40,46)(H,41,47)(H,42,48)(H,43,50)/t29-,30+,31-/m0/s1
PubChem CID	15755315
ChEMBL	CHEMBL418124
IUPHAR	N/A
BindingDB	50002556
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1000.0 nM	PMID1375965	BindingDB,ChEMBL

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