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	practolol
Molecular formula	C14H22N2O3
IUPAC name	N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular weight	266.341
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	0.8
Synonyms	Practolol (USAN) Cardiol (TN) Practololum CTK5C5115 Prestwick2_000332 DL-4'-[2-Hydroxy-3-(isopropylamino)propoxy]acetanilide SPBio_001504 EN300-72170 SR-01000597449-2 HMS2089I09 Z3381 ICI-50172 KBioSS_001934 4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide N-(4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl)acetamide # Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)- NCGC00024810-03 AY-21,011 Practolol, >=95% (HPLC) CCRIS 1089 Praktololu Dalzic rac Practolol DSSTox_GSID_21179 Spectrum4_000859 Eraldina (TN) Teranol HMS3374G04 KBio1_000901 (+-)-Practolol MCULE-7992924679 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)- NE25450 BPBio1_000401 BSPBio_000363 Practololo CHEMBL6995 Prestwick0_000332 DB01297 SCHEMBL39925 DURULFYMVIFBIR-UHFFFAOYSA-N SR-01000597449 GTPL555 Tox21_110928_1 I.C.I. 50,172 KBio2_007070 23313-50-0 N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide AC1L1J62 N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide AKOS016054902 Practalol Practolol [USAN:BAN:INN] CAS-6673-35-4 Practololum [INN-Latin] D05587 Prestwick3_000332 dl-Practolol SPBio_002284 Eraldin SR-01000597449-4 HMS2096C05 [3-(4-Acetylamino-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium IDI1_000901 L000491 4'-[2-Hydroxy-3-(Isopropylamino)propoxy]acetanilide N-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide Acetamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-04 AY-21011 BRD-A41304429-001-04-9 Practolol,(+) CHEBI:258351 Praktololu [Polish] Dalzic (TN) Racemic Practolol DSSTox_RID_75993 Spectrum5_001123 Eralzdin Practolol Teranol (TN) HMS3713C05 KBio2_001934 (+/-)-Practolol MLS002153779 6673-35-4 N-[4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]PHENYL]ACETAMIDE Acetanilide, 4'-[2-hydroxy-3-(isopropylamino)propoxy]- NINDS_000901 C11696 Practololo [DCIT] Cordialina (TN) Prestwick1_000332 DivK1c_000901 SMR001233163 EINECS 229-712-1 SR-01000597449-1 HMS1569C05 Z274728816 ICI 50172 KBioGR_001497 N-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide AC1Q1QBZ NCGC00024810-02 AY 21011 Practolol [USAN:INN:BAN] CCG-39350 Praktol (TN) D0KD1U Prestwick_742 DSSTox_CID_1179 Spectrum2_001572 Eraldin (TN) STL489279 HMS2233K23 KB-294694 ( inverted exclamation markA)-Practolol LS-10763 4-[2-Hydroxy-3-(isopropylamino)propoxy]-acetanilide N-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide Acetamide,N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-07 BDBM25749 BRD-A41304429-001-12-2 Practolol,(-) Pralon (TN) SBI-0051937.P002 DTXSID0021179 Spectrum_001454 FT-0673986 Tox21_110928 HMS502N03 KBio2_004502 1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol MolPort-000-182-968 AB00052459 N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide AKOS002685374 Oprea1_095524 [ Show all ]
Inchi Key	DURULFYMVIFBIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
PubChem CID	4883
ChEMBL	CHEMBL6995
IUPHAR	555
BindingDB	25749
DrugBank	DB01297
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
69362	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
69361	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
69366	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
69358	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418
69359	Beta-2 adrenergic receptor	Q28044	ADRB2	Bos taurus (Bovine)	418
69360	Beta-2 adrenergic receptor	P18762	Adrb2	Mus musculus (Mouse)	418
69363	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
69365	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
69367	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415
69364	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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