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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	D(1A) dopamine receptor
Species	Bos taurus (Bovine)
Gene	DRD1
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	Q95136
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	CHEMBL2967
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	ch56
Molecular formula	C19H19N5
IUPAC name	2-[[4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile
Molecular weight	317.396
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	2-[4-(4-Phenylpiperazinomethyl)-1H-pyrrole-2-ylmethylene]malononitrile KB-271950 2-[4-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrol-2-ylmethylene]-malononitrile ZINC84462640 BDBM50079644 CHEMBL294459 [ Show all ]
Inchi Key	FASYQPOSAUOTDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N5/c20-12-16(13-21)10-18-11-17(14-22-18)15-23-6-8-24(9-7-23)19-4-2-1-3-5-19/h1-5,10-11,14,22H,6-9,15H2
PubChem CID	10425969
ChEMBL	CHEMBL294459
IUPHAR	N/A
BindingDB	50079644
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7200.0 nM	PMID10450964	BindingDB,ChEMBL

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