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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Phentolamine mesylate
Molecular formula	C18H23N3O4S
IUPAC name	3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid
Molecular weight	377.459
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	None
Synonyms	SMR000059054 AS-13800 Vasomax CHEMBL1200873 FT-0603267 K062 MLS000069487 Opera_ID_1599 Phentolamine mesilate (JAN/INN) 134P201 Phentolamine mesylate [USP] 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid Regitin mesylate A828197 AB2000443 ST057364 C17H19N3O.CH4O3S Y7543E5K9T CTK8G2357 HMS3373D03 LP00982 NCGC00016195-01 P1985 Phentolamine mesilate, British Pharmacopoeia (BP) Reference Standard 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol methanesulfonate Phentolamine methanesulfonate 3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)-amino]phenol mesylate Regitine mesylate SAM002703130 AKOS007930193 UNII-Y7543E5K9T CCRIS 9022 EINECS 200-604-6 I14-0396 MCULE-3770473461 NCGC00261667-01 Phentolamine (mesylate) 3-[N-(2-Imidazolin-2-ylmethyl)-p-toluidino]phenol methanesulphonate Phentolamine methanesulphonate 50-60-2 (Parent) SR-01000000055 BC200362 VZ33629 CPD000059054 HMS2233A24 KS-00000XQY MLS001076484 OraVerse Phentolamine mesilate for system suitability, European Pharmacopoeia (EP) Reference Standard 2-[N-(m-Hydroxyphenyl)-p-toluidinomethyl]imidazoline Methanesulfonate Phentolamine Mesylate, Pharmaceutical Secondary Standard; Certified Reference Material 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid Regitin methanesulphonate A835046 AC-7472 SW196637-3 C18H23N3O4S Z-Max D00509 HMS3655B13 LS-104726 NCGC00016195-02 Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-, monomethanesulfonate (salt) Phentolamine mesilate, European Pharmacopoeia (EP) Reference Standard 3-[(2-imidazolin-2-ylmethyl)(4-methylphenyl)amino]phenol, methanesulfonic acid Phentolamine methanesulfonate salt 3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol methanesulfonate Regitine methanesulfonate SCHEMBL40852 AN-8957 Vasofem EU-0100982 J10339 MFCD00134201 NV-101 phentolamine mesilate Phentolamine mesylate (USP) 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-anilino]phenol; methanesulfonic acid REGID_for_CID_91430 65-28-1 SR-01000000055-3 BCP09845 W-104799 CS-2419 HMS3263E05 Lopac-P-7561 MolPort-003-959-154 P 7561 Phentolamine mesilate [INN:BAN] 2-[N-(m-Hydroxyphenyl)-p-toluidinomethyl]imidazoline, methanesulfonate Phentolamine mesylate, United States Pharmacopeia (USP) Reference Standard 3-[[(4,5-Dihydro-1H-imidazol-2- yl)methyl](4-methylphenyl)-amino]phenol mesylate Regitine (TN) AB0014005 AC1L3M27 Tox21_500982 CCG-222286 DTXSID60215315 HY-B0362A m-(N-(2-Imidazolin-2-ylmethyl)-p-toluidino)phenol monomethanesulfonate (salt) NCGC00094282-01 Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, monomethanesulfonate (salt) Phentolamine Meslate,(S) 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol; methanesulfonic acid Phentolamine methanesulfonate salt, >=98% (TLC), powder 4CA-1013 s2038 [ Show all ]
Inchi Key	OGIYDFVHFQEFKQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
PubChem CID	91430
ChEMBL	CHEMBL1200873
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
240590	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
240586	5-hydroxytryptamine receptor 2A	P50129	HTR2A	Sus scrofa (Pig)	470
240591	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
240592	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
240581	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
240593	Alpha-2A adrenergic receptor	P18871	ADRA2A	Sus scrofa (Pig)	450
240580	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
240587	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
240584	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
240585	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
240582	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
240588	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
240583	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
240589	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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