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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	Bos taurus (Bovine)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP
UniProt	P05363
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	CHEMBL4815
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MDL-105212
Molecular formula	C34H39Cl2N3O5
IUPAC name	1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight	640.602
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.7
Synonyms	MDL 104,335 (S)-enantiomer 1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide BDBM50290297 SCHEMBL4208407 3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid CHEMBL539021 AC1L4BI6 ZINC3946365 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide MDL 103,392A racemate BDBM50175494 PDSP2_000651 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide; hydrochloride CHEMBL330366 [ Show all ]
Inchi Key	WZMVQZJKOVPVGZ-XIFFEERXSA-N
Inchi ID	InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
PubChem CID	153996
ChEMBL	CHEMBL330366
IUPHAR	N/A
BindingDB	50290297, 50175494
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
Ki	207.0 nM	PMID8627566	BindingDB

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