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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	dicyclomine
Molecular formula	C19H35NO2
IUPAC name	2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
Molecular weight	309.494
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.5
Synonyms	Tox21_113571_1 [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester Dicymine .beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride DSSTox_GSID_22926 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate GU8471000 AB00053456_14 KBio2_003982 Bentomine Lopac-D-7909 Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester NCGC00015368-01 Byclomine (TN) NCGC00015368-11 CHEMBL1123 Prestwick0_000048 Di-Spaz (TN) Spasmoban Dicycloverin Spectrum5_000873 Wyovin Dilomine (TN) 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate Dyspas IDI1_000162 AC1Q2ZDW KBioGR_001057 Bentyl hydrochloride LS-56640 BRD-K68507560-003-05-5 NCGC00015368-04 CAS-67-92-5 NCGC00024386-04 Cyclohexanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester Prestwick3_000048 Dicicloverina Spectrum2_000590 Dicycloverine (Dicyclomine) (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester STL356799 [1, 2-(diethylamino)ethyl ester, hydrochloride DivK1c_000162 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate Formulex (TN) 856995-49-8 KBio1_000162 Atumin L000680 Bentylol hydrochloride Merbentyl BSPBio_002175 NCGC00015368-07 CHEBI:4514 NSC404381 SBI-0050417.P004 Dicyclomine Hcl Dicycloverinum UNII-4KV4X8IF6V [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride Dicymine (TN) 1-Cyclohexylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester DSSTox_RID_76790 HMS3604H12 AB00053456_15 KBio2_006550 Bentyl Lopac0_000432 Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester NCGC00015368-02 C06951 NCGC00016300-01 CURUTKGFNZGFSE-UHFFFAOYSA- Prestwick1_000048 Di-syntramine SPBio_000440 Dicycloverin hydrochloride Spectrum_000934 Wyovin hydrochloride Diocyl 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate EINECS 201-009-4 67-92-5 (hydrochloride) InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 AC1Q2ZDX KBioSS_001414 Bentylol Mamiesan BRD-K68507560-003-15-4 NCGC00015368-05 CAS-77-19-0 NINDS_000162 D07820 Procyclomin Dicicloverina [INN-Spanish] Spectrum3_000388 Dicycloverine (INN) (BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE Tox21_113571 [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester .beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride DSSTox_CID_2926 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride GTPL355 AB00053456 KBio2_001414 BDBM50010101 Lomine (TN) beta-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride Merbentyl (TN) Byclomine NCGC00015368-08 Oxityl-P DB00804 SCHEMBL3317 Dicyclomine [INN] Dicycloverinum [INN-Latin] Spectrum4_000509 WLN: L6TJ A- AL6TJ AVO2N2&2 &GH Diethylaminocarbethoxybicyclohexyl hydrochloride 104959-55-9 DTXSID1022926 4KV4X8IF6V HSDB 3058 AC1L1F1K KBio3_001395 Bentyl (TN) LS-177325 BPBio1_000193 NCGC00015368-03 C19H35NO2 NCGC00024386-03 CURUTKGFNZGFSE-UHFFFAOYSA-N Prestwick2_000048 Dibent (TN) SPBio_002096 Dicycloverine (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester ST45026134 ZINC1530613 (Bicyclohexyl)-1-carboxylic acid, hydrochloride Diocyl hydrochloride 2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate Formulex 77-19-0 J.L. 998 AKOS022107181 Kolantyl hydrochloride Bentylol (TN) MCULE-9110194493 BSPBio_000175 NCGC00015368-06 CCG-204524 NSC-404381 D07XJM Sawamin Dicycloverine [INN:BAN] [ Show all ]
Inchi Key	CURUTKGFNZGFSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
PubChem CID	3042
ChEMBL	CHEMBL1123
IUPHAR	355
BindingDB	50010101
DrugBank	DB00804
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL
Potency	14125.4 nM	PubChem BioAssay data set	ChEMBL

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