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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-K receptor
Species	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
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	CHEMBL4554
IUPHAR	361
DrugBank	N/A

Ligand

Name	CHEMBL68440
Molecular formula	C30H32Cl2N4O2
IUPAC name	N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Molecular weight	551.512
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-butyl}-N-methyl-benzamide SCHEMBL9035669 BDBM50129523 N-[2-(3,4-Dichlorophenyl)-4-[4-(2-oxo-2,3-dihydro-1H-benzimidazole-1-yl)piperidino]butyl]-N-methylbenzamide
Inchi Key	FSVMBYSTSUIRJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H32Cl2N4O2/c1-34(29(37)21-7-3-2-4-8-21)20-23(22-11-12-25(31)26(32)19-22)13-16-35-17-14-24(15-18-35)36-28-10-6-5-9-27(28)33-30(36)38/h2-12,19,23-24H,13-18,20H2,1H3,(H,33,38)
PubChem CID	21831101
ChEMBL	CHEMBL68440
IUPHAR	N/A
BindingDB	50129523
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	81.0 %	PMID12798336	ChEMBL

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