Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

Ligand

Name	naphazoline
Molecular formula	C14H14N2
IUPAC name	2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
Molecular weight	210.28
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.1
Synonyms	BPBio1_000189 SPBio_002092 C14H14N2 T8212 cid_11079 EINECS 212-641-5 IMI033 KBio3_001565 2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazole NAFAZAIR 2-(naphthylmethyl)-2-imidazoline Naphazoline (INN) 550N992 NCGC00016506-01 AJ-11616 Prestwick2_000046 Rhinazine BRD-K77641333-003-25-5 Spectrum4_000068 CHEBI:93363 ZINC119717 D08253 GTPL5509 KB-224262 L000878 2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole # Nafazolina 2-[(naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole Naphazolinum AB00053505-11 NCGC00016506-04 alpha-Naphthylmethyl imidazoline BBL012612 SCHEMBL34532 BSPBio_002065 ST45061546 CHEMBL761 DB06711 HMS2090D15 KBio2_004023 2-(.alpha.-Naphthylmethyl)-imidazoline MolPort-001-641-043 2-(Naphthyl-(1')-methyl)imidazolin Nafazoline [Spanish] Naphcon AB00053505_14 Prestwick0_000046 Prestwick3_000046 BRD-K77641333-003-05-7 Spectrum2_001054 CC-32429 UNII-H231GF11BV Clearine Enamine_000333 Imidin KBioGR_000595 2-(1-Naphthylmethyl)-2-imidazoline Nafazolin 2-Imidazoline, 2-(1-naphthylmethyl)- Naphazoline Monohydrochloride 835-31-4 NCGC00016506-02 AK-968/41090774 Sanorin (Salt/Mix) BRN 0151864 Spectrum5_001424 CHEMBL1706 D0O6IZ H231GF11BV KBio1_000456 .alpha.-Naphthylmethyl imidazoline LS-79666 2-(alpha-Naphthylmethyl)-imidazoline Nafazolina [DCIT] 4,5-Dihydro-2-(1-naphthylmethyl)imidazole Naphazolinum [INN-Latin] AB00053505-12 NCGC00016506-05 AN-47765 BDBM50001922 SPBio_001008 C-23907 STK300042 Ciba 2020/R DivK1c_000456 IDI1_000456 KBio2_006591 2-(1-Naphthalenylmethyl)-2-imidazoline Nadaplatin 2-(Naphthyl-(1')-methyl)imidazolin [German] 550-99-2 (mono-hydrochloride) Naphthizine AC1L1I5Y Prestwick1_000046 Privine (Salt/Mix) BRD-K77641333-003-15-6 Spectrum3_000513 CCG-250339 Z56762888 CNIIGCLFLJGOGP-UHFFFAOYSA-N FT-0725973 K490 KBioSS_001455 2-(1-Naphthylmethyl)-4,5-dihydro-1H-imidazole Nafazolin (TN) 2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; hydrochloride Naphazoline [INN:BAN] A840596 NCGC00016506-03 AKOS000295230 SBI-0051454.P003 BSPBio_000171 Spectrum_000975 HMS1394P03 KBio2_001455 1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)- MCULE-9097339235 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole Nafazoline 5-23-08-00293 (Beilstein Handbook Reference) Naphazolinum [Latin] AB00053505_13 NINDS_000456 Antan [ Show all ]
Inchi Key	CNIIGCLFLJGOGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
PubChem CID	4436
ChEMBL	CHEMBL761
IUPHAR	N/A
BindingDB	50001922
DrugBank	DB06711
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	407.38 nM	PMID9605427	BindingDB
Ki	407.38 nM	PMID9605427	PDSP

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417