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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	DIHYDREXIDINE
Molecular formula	C17H17NO2
IUPAC name	(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Molecular weight	267.328
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	(6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium AC1O7G2G Lopac0_000380 UNII-Q3PJ4B4D0X (6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6ar-trans)- Q3PJ4B4D0X 5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol CCG-204474 IP-202 trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine (6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol BDBM50010686 CHEMBL25856 NCGC00015354-01 ZINC25758512 10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium(DHX) Biomol-NT_000033 Dihydrexidine hydrochloride Rel-Dihydrexidine (+)-Dihydrexidine CHEBI:124993 Lopac-D-5814 UNII-32D64VH037 component BGOQGUHWXBGXJW-RHSMWYFYSA-N (6aR,12bS)-5,6,6a,7,8,12b-Hexahydrobenzo(a)phenanthridine-10,11-diol Benzo(a)phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aR,12bS)- DAR-0100 NCGC00024845-04 174691-84-0 BPBio1_001227 Dihydrexidine, (+)- SCHEMBL4614575 [ Show all ]
Inchi Key	BGOQGUHWXBGXJW-RHSMWYFYSA-N
Inchi ID	InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PubChem CID	6603820
ChEMBL	CHEMBL25856
IUPHAR	N/A
BindingDB	50010686
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	7.2 nM	PMID21862338	BindingDB,ChEMBL
EC50	14.0 nM	PMID10360732, PMID7658429	BindingDB,ChEMBL
EC50	19.0 nM	PMID17154515	BindingDB,ChEMBL
IA	121.0 %	PMID7658429	ChEMBL
Intrinsic activity	103.0 %	PMID21862338	ChEMBL
Intrinsic activity	110.0 nM	PMID17154515	ChEMBL
Intrinsic activity	121.0 %	PMID10360732	ChEMBL
Ki	6.2 nM	PMID22204903	BindingDB,ChEMBL
Ki	33.0 nM	PMID7658429, PMID10360732	BindingDB,ChEMBL
Ki	35.7 nM	PMID19744859	BindingDB,ChEMBL
Ki	1200.0 nM	PMID9784114	BindingDB,ChEMBL
KL	1200.0 nM	PMID8632409	ChEMBL
Log 1/KL	-3.08 -	PMID8632409	ChEMBL
nH	0.65 -	PMID8558526	ChEMBL

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