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	CHEMBL346994
Molecular formula	C23H20Cl2N4O2S
IUPAC name	(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
Molecular weight	487.399
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	656827-86-0 HMS3650M16 1373AH C23H20Cl2N4O2S SR-01000946307 4-Chloro-N-[1-[(R)-3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazol-1-yl]-1-methylamino-meth-(E)-ylidene]-benzenesulfonamide CTK5C2990 AKOS027307751 MolPort-009-019-227 1H-PYRAZOLE-1-CARBOXIMIDAMIDE, 3-(4-CHLOROPHENYL)-N-[(4-CHLOROPHENYL)SULFONYL]-4,5-DIHYDRO-N'-METHYL-4-PHENYL-, (4R)- SR-01000946307-1 DTXSID00463595 (4s)-3-(4-chlorophenyl)-n-[(4-chlorophenyl)sulfonyl]-4,5-dihydro-n'-methyl-4-phenyl-1h-pyrazole-1-carboximidamide BDBM50138913 SCHEMBL8140161 3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4,5-dihydro-N'-methyl-4R-phenyl-1H-pyrazole-1-carboximidamide ZINC13559250 [ Show all ]
Inchi Key	AXJQVVLKUYCICH-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m0/s1
PubChem CID	11363773
ChEMBL	CHEMBL346994
IUPHAR	N/A
BindingDB	50138913
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
16746	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
16749	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473
16747	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
16748	Cannabinoid receptor 2	P47936	Cnr2	Mus musculus (Mouse)	347

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