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	CHEMBL333735
Molecular formula	C21H24Cl2N4S
IUPAC name	N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2-methyl-5-methylsulfanyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	435.411
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM50148897 Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-2-methyl-5-methylsulfanyl-3H-pyrazolo[1,5-a]pyrimidin-7-yl]-propyl-amine
Inchi Key	AWWQTWFZYCICFJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24Cl2N4S/c1-4-9-26(12-14-5-6-14)19-11-18(28-3)24-21-20(13(2)25-27(19)21)16-8-7-15(22)10-17(16)23/h7-8,10-11,14H,4-6,9,12H2,1-3H3
PubChem CID	44347388
ChEMBL	CHEMBL333735
IUPHAR	N/A
BindingDB	50148897
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
16430	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444

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