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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	D(1B) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD5
Synonym	Gpcr1 DRD1L2 DRD1B dopamine receptor 5 Dopamine D5 receptor D5 receptor D1beta dopamine receptor D(5) dopamine receptor D(1B) dopamine receptor [ Show all ]
Disease	Solid tumours Schizophrenia
Length	477
Amino acid sequence	MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
UniProt	P21918
Protein Data Bank	N/A
GPCR-HGmod model	P21918
3D structure model	This predicted structure model is from GPCR-EXP P21918.
BioLiP	N/A
Therapeutic Target Database	T46828
ChEMBL	CHEMBL1850
IUPHAR	218
DrugBank	BE0000145, BE0004889

Ligand

Name	SMR000111657
Molecular formula	C17H18N2O
IUPAC name	phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
Molecular weight	266.344
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	CHEMBL1363951 Oprea1_801736 AKOS001515379 HMS1518O07 phenyl[1-(propan-2-yl)-1H-benzimidazol-2-yl]methanol 1-Isopropyl-2-(alpha-hydroxybenzyl)-1H-benzimidazole CCG-146474 MLS000107285 AB00088583-01 ChemDiv3_016155 phenyl-(1-propan-2-yl-2-benzimidazolyl)methanol (1-Isopropyl-1H-benzoimidazol-2-yl)-phenyl-methanol AKOS022048765 HMS2476H16 162891-16-9 MolPort-002-116-376 AC1ME9Y5 cid_2851813 phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol (1-isopropylbenzimidazol-2-yl)-phenyl-methanol BDBM48980 MCULE-5177122336 STL298161 [ Show all ]
Inchi Key	CCGMKVCKAXTOGX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
PubChem CID	2851813
ChEMBL	CHEMBL1363951
IUPHAR	N/A
BindingDB	48980
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.0331 nM	N/A	BindingDB

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