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	4035-38-5
Molecular formula	C19H15ClN2O
IUPAC name	5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
Molecular weight	322.792
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.8
Synonyms	SR-01000535256 AKOS016245231 DTXSID80385423 STK739721 2-[3-(4-chlorophenyl)-1-phenyl-2-pyrazolin-5-yl]furan 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole CBMicro_014395 MCULE-5226471226 SMR000431350 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole AC1MDD9A cid_2834912 SR-01000535256-1 BDBM47506 HMS2812L03 MLS000768037 VU0345411-2 3-(4-Chloro-phenyl)-5-furan-2-yl-1-phenyl-4,5-dihydro-1H-pyrazole 5N-759 SMSF0004797 3-(4-chlorophenyl)-5-(furan-2-yl)-1-phenyl-4,5-dihydro-1H-pyrazole AKOS001024869 CTK1C9774 ST4067222 1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-furanyl)-4,5-dihydro-1-phenyl- 5-(4-chlorophenyl)-3-(2-furanyl)-2-phenyl-3,4-dihydropyrazole BIM-0014262.P001 KS-000039Z9 MolPort-000-454-448 Z56797033 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-2-pyrazoline A2657/0113285 CHEMBL1332070 [ Show all ]
Inchi Key	AFDOVMFLHLZNFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
PubChem CID	2834912
ChEMBL	CHEMBL1332070
IUPHAR	N/A
BindingDB	47506
DrugBank	N/A
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
4059	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
4060	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
4061	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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