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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	Ifenprodil
Molecular formula	C21H27NO2
IUPAC name	4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Molecular weight	325.452
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	Creocral DSSTox_RID_81034 Ifenprodil (INN) J-015034 NCGC00024643-05 RC 61-91 1-Methyl-2-hydroxy-2-(4-hydroxyphenyl)ethyl-1-(4-benzylpiperidine) Tox21_110915 23210-58-4 925913-11-7 C-19841 D0I0DL FT-0601591 ifenprodil tartrate LS-115339 NCGC00024643-10 SCHEMBL34010 1-Piperidineethanol, alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)- (9CI) UYNVMODNBIQBMV-UHFFFAOYSA-N 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]phenol Alpha 1-PI CCG-204747 CHEMBL305187 DSSTox_CID_25656 I06-0297 Ifenprodilum NCGC00024643-03 PDSP2_000646 (+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol] SR-01000075169-11 210I562 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol BDBM50083351 D08064 DTXSID2045656 IFENPRODIL HEMITARTRATE KB-52538 NCGC00024643-06 RC-61-91 1-Piperidineethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl- Tox21_110915_1 4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol AC1L1GHT CAS-23210-56-2 DB08954 GTPL5472 Ifenprodil tartrate salt MRF-0000097 NCGC00024643-12 SR-01000075169 2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol Vadilex 4-[2-(4-Benzyl-1-piperidyl)-1-hydroxy-propyl]phenol; (2R,3R)-2,3-dihydroxybutanedioic acid alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine ethanol CHEBI:93829 ChEMBL_104385 DSSTox_GSID_45656 Ifenprodilum [INN-Latin] NCGC00024643-04 R8OE3P6O5S (plusmn)-ifenprodil SR-01000075169-3 23210-56-2 61 91 RC BRD-A24191444-045-03-1 D08VCI EINECS 245-491-4 Ifenprodil L-(+)-tartrate L005364 NCGC00024643-07 SBI-0050640.P002 1-Piperidineethanol, alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)- UNII-R8OE3P6O5S 4-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol AKOS015895174 CC-29467 Dilvax HMS2089G05 Ifenprodil [INN:DCF] NCGC00024643-02 PDSP1_000654 SR-01000075169-1 2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propanol 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol AX8042605 [ Show all ]
Inchi Key	UYNVMODNBIQBMV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
PubChem CID	3689
ChEMBL	CHEMBL305187
IUPHAR	N/A
BindingDB	N/A
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	281.8 nM	PubChem BioAssay data set	ChEMBL
Potency	326.4 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

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