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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	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 ZINC3946365 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 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 [ 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	50175494, 50290297
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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
386355	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
386346	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
386353	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
386347	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
386351	Substance-K receptor	P30549	Tacr2	Mus musculus (Mouse)	384
386352	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
386354	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
386356	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
462528	Substance-K receptor	P05363	TACR2	Bos taurus (Bovine)	384
386348	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
386349	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
386350	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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