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	MLS000388665
Molecular formula	C23H18N4O2
IUPAC name	N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide
Molecular weight	382.423
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.3
Synonyms	HMS2565I10 N'-(1,3-diphenyl-1H-pyrazole-5-carbonyl)benzohydrazide Z29287623 AKOS034081550 CHEMBL1309871 N''-benzoyl-2,5-diphenyl-pyrazole-3-carbohydrazide 875156-62-0 MCULE-7736272713 N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide ZINC5634757 BDBM80006 MolPort-004-137-223 2,5-diphenyl-N''-(phenylcarbonyl)pyrazole-3-carbohydrazide cid_4883406 N''-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide AC1NK75H MLS-0208644.0001 SMR000254838 N''-benzoyl-2,5-diphenyl-3-pyrazolecarbohydrazide [ Show all ]
Inchi Key	BWSDYKXKOONUOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
PubChem CID	4883406
ChEMBL	CHEMBL1309871
IUPHAR	N/A
BindingDB	80006
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
34690	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
34688	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
34687	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372
34689	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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