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-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	1-(3-Chlorophenyl)piperazine
Molecular formula	C10H13ClN2
IUPAC name	1-(3-chlorophenyl)piperazine
Molecular weight	196.678
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.7
Synonyms	1-(3-Chloro Phenyl)Piperazine N-(m-Chlorophenyl)piperazine 1-3-CPP NCGC00024836-02 4-(m-chlorophenyl)piperazine Piperazine, (3-chlorophenyl)- AC1Q3K46 SCHEMBL48931 BB 0254666 TR-022485 BRD-K75844781-003-03-1 CTK3J7824 DSSTox_RID_80696 KB-08690 m-chlorophenylpiperazine (m-CPP) meta chlorophenyl piperazine 1-(3-Chlorophenyl)-piperazine NCGC00015247-03 NSC-49307 6640-24-0 R1689 AKOS000101295 STK397316 BCP15052 W-104754 CCG-204340 DB-024578 EINECS 229-654-7 L000009 (3-chloro-phenyl)-piperazine N-(3-Chlorophenyl)piperazine 1-(3-Chlorophenyl)piperazine (MCPP) NCGC00015247-07 4-(3-chlorophenyl)-piperazine PDSP2_000002 AC-23379 RTR-022485 AN-7476 Tox21_110110 BPBio1_000067 CHEMBL478 DSSTox_CID_25138 GF-0110 LS-107647 (m-CPP) 1-(3-chloro-phenyl)-piperazine NCGC00015247-01 1-M-Chlorophenyl Piperazine Metabolite NCGC00024836-03 Piperazine, 1-(3-chlorophenyl)- AJ-08201 ST2403154 BBL008938 UNII-REY0CNO998 C11738 D0J6JT DTXSID9045138 KS-0000021N m-CPP meta-chlorophenylpiperazine 1-(3-chlorophenyl)-piperazine (m-CPP) NCGC00015247-04 3-Chlorophenyl piperazine NSC49307 A8960 REY0CNO998 ALBB-005970 T993 BDBM50001915 ZINC4285 CHEBI:10588 F2190-0347 Lopac-C-5554 (3-chlorophenyl)-piperazine N-(m-chlorophenyl)-piperazine 1-(m-Chlorophenyl)piperazine NCGC00024836-01 4-(3-Chlorophenyl)piperazine PIP086 AC1L1BAK SBB003579 ANW-45669 Tox21_110110_1 BRD-K75844781-001-01-9 CS-D0555 DSSTox_GSID_45138 GTPL142 m-Chlorophenylpiperazine 1-(3-Chlorophenyl) piperazine NCGC00015247-02 13078-15-4 (mono-hydrochloride) NSC 49307 51639-49-7 (di-hydrochloride) Piperazine, 1-(m-chlorophenyl)- AJ-333/09217060 ST45255371 BC205297 VHFVKMTVMIZMIK-UHFFFAOYSA-N CAS-6640-24-0 D0S5FQ EC 229-654-7 KSC497Q2J MCULE-2169847421 MolPort-000-153-472 NCGC00015247-05 3-chlorophenylpiperazine PDSP1_000002 AB0018971 RL04537 AN-16609 Tocris-0875 Biomol-NT_000129 DB12110 FT-0605615 Lopac0_000245 (3-chlorophenyl)piperazine [ Show all ]
Inchi Key	VHFVKMTVMIZMIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
PubChem CID	1355
ChEMBL	CHEMBL478
IUPHAR	142
BindingDB	50001915
DrugBank	DB12110
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	97.0 nM	PMID9400006	BindingDB
Ki	1386.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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