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	CHEMBL2024601
Molecular formula	C30H33N7O2
IUPAC name	N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methylpyridin-2-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
Molecular weight	523.641
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.4
Synonyms	(+/-)-N-(2-(7-Methyl-1H-indazol-5-yl)-1-(6-methylpyridin-2-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide BDBM50382771 SCHEMBL4517949 AUZLOKAXTQLSIP-UHFFFAOYSA-N
Inchi Key	AUZLOKAXTQLSIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)
PubChem CID	11341430
ChEMBL	CHEMBL2024601
IUPHAR	N/A
BindingDB	50382771
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
15082	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461

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