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-2A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2a
Synonym	CA2-47 alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2D adrenergic receptor Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P22909
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	CHEMBL327
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	cisapride
Molecular formula	C23H29ClFN3O4
IUPAC name	4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Molecular weight	465.95
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	EINECS 279-689-7 HSDB 3571 MolPort-003-666-853 4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl]-3-methoxy-piperidin-4-yl}-2-methoxy-benzamide Prestwick0_000430 ACMC-20m7on Propulsin BDBM50005836 SPBio_002359 C23H29ClFN3O4.H2O Vomiprid Cipride Cisapride [USAN:BAN:INN:JAN] D0BD8D FT-0623916 KB-289943 4-Amino-5-chloro-N-(1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl)-2-methoxybenzamide, cis- # NCGC00168465-01 Prestwick_786 Alimix R-51619 Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, monohydrate, cis- T 1341 CHEBI:95129 Cisaprida [INN-Spanish] Cisapron Dispep HMS1569E22 LS-25437 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide Prepulsid, Propulsid AC1L1EFB Propulsid (TN) AN-14451 Risamol BRD-A12896037-001-02-7 Unamol CHEMBL560739 Cisapride (USAN/INN) CTK4A3424 DSSTox_RID_76746 Enteropride I01-0115 4-Amino-5-chloro-2-methoxy-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]benzamide NCGC00016944-01 4-AMINO-5-CHLORO-N-{1-[3-(4-FLUOROPHENOXY)PROPYL]-3-METHOXY-4-PIPERIDYL}-2-METHOXYBENZAMIDE Prestwick1_000430 Acpulsif Pulsid Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy -4-piperidinyl)-2-methoxy-, cis- STL058624 CAS-81098-60-4 Vomipride cis-4-Amino-5-chloro-N-(1-(3-(p-fluorophenoxy)propyl)-3-methoxy-4-piperidyl)-o-anisamide Cisapridum [INN-Latin] D0N1BQ GTPL240 (+-)-Cisapride Kinestase 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide Prepulsid 81098-60-4 Pridesia Alimix Forte Rapulid Benzamide, 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, cis- Tox21_110699 Cisaprida [Spanish] Cisawal DSSTox_CID_2825 DTXSID3022825 HMS3370F16 104860-73-3 MCULE-7144129340 4-amino-5-chloro-N-[1-{3-[(4-fluorophenyl)oxy]propyl}-3-(methyloxy)piperidin-4-yl]-2-(methyloxy)benzamide Presid Acenalin Propulsid Quicksolv BC204732 SCHEMBL16131 C06910 Unipride cid_5311047 Cisapride prodrug (oral, ECLYPS), ProCor Pharmaceuticals D00274 Esorid Kaudalit 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide NCGC00025262-02 4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide Prestwick2_000430 AKOS005710823 R 51619 Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis- Syspride CCG-213491 cis-4-Amino-5-chloro-N-[1-[3-(p-fluorophenoxy)propyl]-3-methoxy-4-piperidyl]-o-anisamide Cisapridum [Latin] DCSUBABJRXZOMT-UHFFFAOYSA-N Guptro (.+/-.)-Cisapride L000938 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide Prepulsid (TN) AC-1912 Propulsid Alipride Risamal Benzamide,4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy- Tox21_110699_1 CHEMBL1729 Colinorm DSSTox_GSID_22825 [ Show all ]
Inchi Key	DCSUBABJRXZOMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
PubChem CID	2769
ChEMBL	CHEMBL1729
IUPHAR	240
BindingDB	50005836
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	30.0 nM	PMID7608898	BindingDB,ChEMBL

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