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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	L-741,626
Molecular formula	C20H21ClN2O
IUPAC name	4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Molecular weight	340.851
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.7
Synonyms	D0M3PV KSC-315-034- L000887 MLS000860079 NCGC00015591-07 PDSP2_001399 ( inverted exclamation markA)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole Tox21_500742 3-[[4-(4-Chlorophenyl)-4-hydroxypiperidin-l-yl]methyl-1H-indole A19235 BRD-K05181463-001-01-6 GTPL177 L 741626 Lopac-L-135 NCGC00015591-02 NCGC00024932-03 SMR000326937 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol AKOS024456330 CCG-204827 HMS3267M15 L-741,626, >=98% (HPLC) LS-116920 NCGC00015591-05 PDSP1_001415 SR-01000075973-3 3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole Biomol-NT_000036 CHEMBL445102 DTXSID30230974 KUC112479N L741,626 MolPort-003-943-618 NCGC00024932-01 PDSP2_001833 ( inverted question mark)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole ZINC6788 4-(4-Chloro-phenyl)-1-(1H-indol-3-ylmethyl)-piperidin-4-ol AC1L335F BRD-K05181463-001-04-0 HMS2230F17 L-135 Lopac0_000742 NCGC00015591-03 NCGC00024932-04 SR-01000075973 1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperidin-4-ol 4-(4-chlorophenyl)-1-(1h-indol-3-ylmethyl)piperidin-4-ol B6544 CHEBI:92090 HMS3370K05 L-741626 MFCD00953632 NCGC00015591-06 PDSP1_001848 Tocris-1003 3-[4-(4-chlorophenyl)-4-hydroxypiperidinyl]methylindole 81226-60-0 BPBio1_001094 CTK3I9542 EU-0100742 L 741,626 L741626 NCGC00015591-01 NCGC00024932-02 SCHEMBL11253588 (+/-)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole 4-(4-CHLOROPHENYL)-1-(1H-INDOL-3-YL METHYL)PIPERIDIN-4-OL AC1Q3NO6 C20H21ClN2O HMS3262E06 LP00742 NCGC00015591-04 NCGC00261427-01 SR-01000075973-1 4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)- BDBM50050467 [ Show all ]
Inchi Key	LLBLNMUONVVVPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
PubChem CID	133633
ChEMBL	CHEMBL445102
IUPHAR	177
BindingDB	50050467
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	722.0 nM	PMID18774793	BindingDB,ChEMBL
Ki	794.33 nM	PMID10869410	BindingDB
Potency	1158.1 nM	PubChem BioAssay data set	ChEMBL
Potency	6309.6 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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