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GLASS

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GPCR

Name	D(2) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL339
IUPHAR	215
DrugBank	N/A

Ligand

Name	fenoldopam
Molecular formula	C16H16ClNO3
IUPAC name	9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	305.758
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	2.4
Synonyms	MCULE-7876003953 NCGC00025246-02 SK-82526 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid Tox21_110152_1 AC1Q3LHG BRD-A50684349-001-01-5 CCG-204646 D07946 EN300-119508 GTPL939 HY-B0735 NCGC00015444-03 (R)-6-Chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol PDSP2_001645 67287-54-1 (hydrobromide) SKF 82526-J AB00698256-13 API0007253 C07693 CHEMBL588 DB00800 Fenoldopam (INN) Lopac0_000556 NCGC00015444-06 27F569 SK&F-82526 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol SMR000469190 AB2000493 Biomol-NT_000042 CAS-67227-56-9 Corlopam (TN) DSSTox_RID_80083 Fenoldopamum [Latin] MLS001401388 NCGC00025246-03 67227-56-9 SK-82526-J TVURRHSHRRELCG-UHFFFAOYSA-N AKOS015906543 BRD-A50684349-003-01-1 CHEBI:5002 D0R6BI Fenodopam mesylate HMS2090G16 I745 NCGC00015444-04 SCHEMBL13287212 87900-90-1 SKF-82526 AB00698256-15 BC220528 Carlacor cid_49659 DSSTox_CID_23896 Fenoldopam [INN:BAN] LS-27993 NCGC00015444-07 6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol SK&F-82526J 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;mesylic acid Tox21_110152 AC1L1FPQ BPBio1_001265 CC-28388 CS-2979 DTXSID0043896 FT-0641107 MolPort-006-167-637 PDSP1_001661 67227-57-0 (mesylate) SKF 82526 AB0013872 VA10891 AN-38412 C-20379 HMS3715H14 L000254 NCGC00015444-05 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)- SCHEMBL34250 9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid SKF-82526J AB00698256_16 BDBM60917 Carlacor (TN) Corlopam DSSTox_GSID_43896 Fenoldopamum [ Show all ]
Inchi Key	TVURRHSHRRELCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
PubChem CID	3341
ChEMBL	CHEMBL588
IUPHAR	939
BindingDB	60917
DrugBank	DB00800
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1300.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	1900.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	2700.0 nM	PMID10956209	BindingDB,ChEMBL
Kd	13000.0 nM	PMID10956209	BindingDB,ChEMBL
Ki	13.0 nM	N/A	BindingDB
Ki	13.18 nM	Bioorg. Med. Chem. Lett., (1995) 5:20:2371	ChEMBL
KL	1000.0 nM	PMID8632409	ChEMBL

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