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GLASS

You can:

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	CHEMBL406889
Molecular formula	C56H78N12O11S
IUPAC name	methyl (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight	1127.37
Hydrogen bond acceptor	13
Hydrogen bond donor	11
XlogP	3.9
Synonyms	Boc-Asn-Arg-D-Phe-Phe-D-Trp-Leu-Met-OMe BDBM50016357
Inchi Key	CWTXEZSBHFBTSH-DUBVIKFWSA-N
Inchi ID	InChI=1S/C56H78N12O11S/c1-33(2)27-41(48(71)63-40(24-26-80-7)53(76)78-6)64-51(74)44(30-36-32-61-38-22-15-14-21-37(36)38)67-50(73)43(29-35-19-12-9-13-20-35)66-49(72)42(28-34-17-10-8-11-18-34)65-47(70)39(23-16-25-60-54(58)59)62-52(75)45(31-46(57)69)68-55(77)79-56(3,4)5/h8-15,17-22,32-33,39-45,61H,16,23-31H2,1-7H3,(H2,57,69)(H,62,75)(H,63,71)(H,64,74)(H,65,70)(H,66,72)(H,67,73)(H,68,77)(H4,58,59,60)/t39-,40-,41-,42+,43-,44+,45-/m0/s1
PubChem CID	44271336
ChEMBL	CHEMBL406889
IUPHAR	N/A
BindingDB	50016357
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	>2.0 dose ratio	PMID2433443	ChEMBL
Activity	2.1 dose ratio	PMID2433443	ChEMBL
Activity	4.4 dose ratio	PMID2433443	ChEMBL
Activity	16.0 dose ratio	PMID2433443	ChEMBL

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