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	3,4-dichloro-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)benzamide
Molecular formula	C18H13Cl2NO3
IUPAC name	3,4-dichloro-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)benzamide
Molecular weight	362.206
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.4
Synonyms	NCGC00060616-02 AKOS003233734 CHEMBL1302307 STK180083 3,4-dichloro-N-(2-furylmethyl)-N-(4-hydroxyphenyl)benzamide MLS000051042 AB00389397-10 BBL024400 NCGC00060616-03 HMS2182P04 ZINC1071740 MolPort-002-279-514 AC1LO9W2 SMR000078852 MCULE-2761150158 765934-95-0 [ Show all ]
Inchi Key	ACQXRJPXLVSBIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13Cl2NO3/c19-16-8-3-12(10-17(16)20)18(23)21(11-15-2-1-9-24-15)13-4-6-14(22)7-5-13/h1-10,22H,11H2
PubChem CID	1259859
ChEMBL	CHEMBL1302307
IUPHAR	N/A
BindingDB	N/A
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
1802	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463164	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
1803	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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