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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(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

Ligand

Name	CHEMBL216047
Molecular formula	C31H33Cl2N5O
IUPAC name	2-chloro-N-[3-chloro-6-[4-(cyclohexylmethyl)piperazin-1-yl]benzo[b][1,4]benzodiazepin-11-yl]benzamide
Molecular weight	562.539
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	7.4
Synonyms	BDBM50190096 2-chloro-N-[8-chloro-11-(4-cyclohexylmethyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide
Inchi Key	AQYOBQIIGLFQRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H33Cl2N5O/c32-23-14-15-29-27(20-23)34-30(37-18-16-36(17-19-37)21-22-8-2-1-3-9-22)25-11-5-7-13-28(25)38(29)35-31(39)24-10-4-6-12-26(24)33/h4-7,10-15,20,22H,1-3,8-9,16-19,21H2,(H,35,39)
PubChem CID	44415805
ChEMBL	CHEMBL216047
IUPHAR	N/A
BindingDB	50190096
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	294.0 nM	PMID16806922	BindingDB,ChEMBL

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