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GLASS

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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	baclofen
Molecular formula	C10H12ClNO2
IUPAC name	4-amino-3-(4-chlorophenyl)butanoic acid
Molecular weight	213.661
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-1.0
Synonyms	Clofen GABA, Chlorophenyl Baclofen 0.5 mg/ml in Methanol Nu-Baclofen DB00181 GTPL1084 Baclofen Isis Brand Pms-Baclofen ( inverted question mark)-Baclofen HS-1001 Baclofen [USAN:INN:BAN:JAN] SBI-0050151.P004 (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid Irex Brand of Baclofen Baclofene [INN-French] Spectrum2_000092 (RS)-BACLOFEN KBio2_005602 Baclophen SR-01000000107-6 134B470 L000002 Benzenepropanoic acid, beta-(aminomethyl)-4-chloro- UPCMLD-DP142:001 4-Amino-3-(p-chlorophenyl)butyric acid LS-77134 BPBio1_000012 ALBB-014712 NCGC00015156-04 C 34647Ba Apotex Brand of Baclofen NCGC00015156-15 DSSTox_RID_76670 Ba-34,647 Novartis Brand of Baclofen Ba34647 NSC329137 CTK2F7435 gamma-Amino-beta-(p-chlorophenyl)butyric acid Baclofen Ashbourne Brand Oprea1_440627 HMS2091M03 Baclofen Nu-Pharm Brand Prestwick1_000085 (+/- )-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-p-CHLORO- Baclofen, European Pharmacopoeia (EP) Reference Standard SMP1_000036 (?)-Baclofen J10366 Baclofeno Spectrum5_000852 .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid KBioSS_000466 BBV-40195932 STK535284 4-Amino-3-(4-chlorophenyl)butanoic acid Lioresal (TN) beta-(Aminomethyl)-4-chlorobenzenepropanoic acid AB00051921_16 MCULE-2275748923 Brivaracetam-D3 solution, 100 mug/mL in methanol, certified reference material, ampule of 1 mL AOB5950 NCGC00015156-07 CAS-1134-47-0 DivK1c_000001 Athena Brand of Baclofen NCGC00024579-04 Ciba 34,647-Ba EN300-118715 Ciba-Geigy Brand of Baclofen F2173-1127 Baclofen (JP17/USP/INN) Nu Pharm Brand of Baclofen D01AJY GenBaclofen Baclofen Ciba-Geigy Brand Pharmascience Brand of Baclofen ( inverted exclamation markA)-BACLOFEN HMS3712A12 Baclofen solution, 500 mug/mL (90:10 MeOH:DMSO), certified reference material, ampule of 1 mL Prestwick_85 (+/-)-Baclofen, >=98% (TLC), solid IPX 056 Baclofene SPBio_001949 (RS)-4-Amino-3-(4-chlorophenyl)butanoic acid KBio2_000466 Baclofenum [INN-Latin] SR-01000000107-2 .gamma.-Amino-.beta.-(p-chlorophenyl)butyric acid KPYSYYIEGFHWSV-UHFFFAOYSA-N BDBM24182 Tox21_500163 4-Amino-3-(4-chlorophenyl)butyric acid Lopac0_000163 BG0101 AC1L1DC6 MLS000028480 BSPBio_001880 Apo-Baclofen NCGC00015156-12 CCRIS 3722 DSSTox_CID_2641 B 5399 NCGC00260848-01 NSC-329137 CPD000058294 Gabalon Baclofen Alphapharm Brand Nu-Pharm Brand of Baclofen HMS1568A12 Baclofen Medtronic Brand PMSBaclofen (±)-Baclofen HY-B0007 Baclofen [USAN:USP:INN:BAN:JAN] SC-19053 (.+/-.)-Baclofen Isis Brand of Baclofen Baclofene-Irex Spectrum3_000310 (y)-Baclofen KBio3_001380 Baclospas SR-01000000107-8 Lebic Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-(9CI) ZX-AN013424 62594-36-9 M-2046 BPBio1_000750 Alphapharm Brand of Baclofen NCGC00015156-05 C-11285 Ashbourne Brand of Baclofen NCGC00023843-03 CHEMBL701 DTXSID5022641 Ba-34647 NSC755906 CX1358 Gen Baclofen Baclofen Athena Brand PCP-GABA HMS2095A12 baclofen o Prestwick2_000085 (+/-)- beta-(Aminoethyl)-4- chlorobenzenepropanoic acid I01-1934 Baclofen, Pharmaceutical Secondary Standard; Certified Reference Material SMR000058294 (A+/-)-Baclofen KB-74838 Baclofeno [INN-Spanish] Spectrum_000066 .beta.-(Aminomethyl)-p-chlorohydrocinnamic acid Kemstro BC208286 Tox21_110090 4-Amino-3-(4-chlorophenyl)butanoic acid # Lioresal Intrathecal beta-(Aminomethyl)-p-chlorohydrocinnamic acid AB0012560 Medtronic Brand of Baclofen BRN 2104494 API0001581 NCGC00015156-08 CC-17750 DL-4-Amino-3-p-chlorophenylbutanoic acid Atrofen NCGC00024579-05 Ciba Geigy Brand of Baclofen EU-0100163 CIBA34,647BA FT-0622547 Baclofen (R,S) Nu-Baclo Genpharm Baclofen Irex Brand PMS Baclofen ( inverted exclamation markA)-\|A-(Aminomethyl)-4-chlorobenzenepropanoic acid HMS500A03 Baclofen solution, 500 mug/mL in methanol, ampule of 1 mL, certified reference material SAM002564194 (+/-)-beta-(Aminoethyl)-4-chlorobenzenepropanoic acid IPX056 Baclofene Irex SPECTRUM1500135 (RS)-Amino-3-(4-chlorophenyl)butyric acid KBio2_003034 Baclon SR-01000000107-4 1134-47-0 KS-00000VAF Benzenepropanoic acid, .beta.-(aminomethyl)-4-chloro- UPCMLD-DP142 4-Amino-3-(4-chlorophenyl)butyricAcid,Baclofen LP00163 Biomol-NT_000251 AKOS005174692 MolPort-002-051-370 Butanoic acid, 4-amino-3-(4-chlorophenyl)- ApoBaclofen NCGC00015156-13 CHEBI:2972 DSSTox_GSID_22641 Ba 34647 NINDS_000001 Ba34,647 NSC-755906 CS-2990 Gablofen Baclofen Apotex Brand NuBaclo HMS1920E21 Baclofen Novartis Brand Prestwick0_000085 (+-)-Baclofen Hydrocinnamic acid, .beta.-(aminomethyl)-p-chloro- Baclofen, British Pharmacopoeia (BP) Reference Standard SCHEMBL19333 (.+/-.)-Baklofen J-002965 BaclofeneIrex Spectrum4_000245 .beta.-(4-Chlorophenyl)gaba KBioGR_000650 BBL010735 ST075584 4-AMINO-3(4-CHLOROPHENYL)BUTYRIC ACID Lioresal beta-(4-Chlorophenyl)gaba AB00051921 MB00475 BRD-A84174873-001-05-2 AN-11875 NCGC00015156-06 C10H12ClNO2 ASTA Medica Brand of Baclofen NCGC00024579-03 Chlorophenyl GABA EINECS 214-486-9 EX-A1378 Baclofen (JP15/USP/INN) Nu Baclo D00241 Gen-Baclofen Baclofen AWD Pharmakon1600-01500135 HMS3260B07 Baclofen Pharmascience Brand Prestwick3_000085 (+/-)-BACLOFEN IDI1_000001 Baclofen, United States Pharmacopeia (USP) Reference Standard SPBio_000044 (inverted question mark)-Baclofen KBio1_000001 Baclofenum SR-01000000107 .beta.-(p-Chlorophenyl)-.gamma.-aminobutyric acid Kemstro (TN) BCP11844 Tox21_110090_1 4-Amino-3-(4-chlorophenyl)butyri Lioresal, Liofen beta-(p-Chlorophenyl)-gamma-aminobutyric acid AC-4530 MFCD00055143 BSPBio_000010 Apo Baclofen NCGC00015156-11 CCG-38910 DL-Baclofen AWD, Baclofen NCGC00024579-06 CIBA-34,647-BA [ Show all ]
Inchi Key	KPYSYYIEGFHWSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
PubChem CID	2284
ChEMBL	CHEMBL701
IUPHAR	N/A
BindingDB	24182
DrugBank	DB00181
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

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