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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	Benzamil
Molecular formula	C13H14ClN7O
IUPAC name	3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide
Molecular weight	319.753
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.7
Synonyms	Bio1_000361 BRD-K97688263-001-02-9 CCG-204306 GTPL4145 KBio2_000300 Lopac-B-2417 NCGC00015147-04 NCGC00162093-03 Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)- 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide Bio2_000300 BSPBio_001580 CHEMBL212579 HMS1989O22 KBio3_000599 N-(benzylamidino)-3,5-diamino-6-chloropyrazinecarboxamide NCGC00015147-07 NSC_108107 2-Pyrazinecarboxamide, 3,5-diamino-N-[(1E)-amino[(phenylmethyl)amino]methylene]-6-chloro-, monohydrochloride SPBio_002614 BDBM81819 BRD-K87158025-001-01-6 CAS-2898-76-2 DTXSID90183179 IDI1_034050 KBioGR_000300 NCGC00015147-02 NCGC00162093-01 Prestwick2_000657 3,5-diamino-6-chloro-N-{amino[(phenyl-methyl)amino]-methylene}pyrazinecarboxamide ZINC13548421 Bio1_000850 BRD-K97688263-003-04-1 CHEBI:34558 HMS1361O22 KBio2_002868 Lopac0_000211 NCGC00015147-05 NCGC00162093-04 (NE)-3,5-diamino-N-[amino-(benzylamino)methylene]-6-chloro-pyrazine-2-carboxamide SCHEMBL412783 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide. Bio2_000780 BSPBio_003465 D02ACL HMS2090F10 KBio3_000600 N-(N-Benzylamidino)-3,5-diamino-6-chloropyrazine carboxamide NCGC00015147-08 Prestwick0_000657 2898-76-2 Spectrum3_001823 AC1L33CQ BRD-K87158025-003-01-2 CAS_1937-37-7 GNF-Pf-192 KBio1_001001 KBioSS_000300 NCGC00015147-03 NCGC00162093-02 Prestwick3_000657 3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloro-pyrazine-2-carboxamide Bio1_001339 BSPBio_000693 HMS1791O22 KBio2_005436 LS-184230 NCGC00015147-06 NINDS_001001 04659UUJ94 SMP1_000301 3,5-Diamino-N-(N-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide AKOS027382092 BPBio1_000763 C13751 DivK1c_001001 IDI1_001001 KBio3_002969 NCGC00015147-01 NCGC00015147-09 Prestwick1_000657 3,5-Diamino-6-chloro-N-(imino((phenylmethyl)amino)methyl)pyrazinecarboxamide UNII-04659UUJ94 [ Show all ]
Inchi Key	KXDROGADUISDGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
PubChem CID	108107
ChEMBL	CHEMBL212579
IUPHAR	N/A
BindingDB	81819
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	580.4 nM	PubChem BioAssay data set	ChEMBL
Potency	5011.9 nM	PubChem BioAssay data set	ChEMBL

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