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	CHEMBL210255
Molecular formula	C30H31Cl3FN3O
IUPAC name	N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2,6-dichlorophenyl)phenyl]piperidin-4-yl]amino]acetamide
Molecular weight	574.946
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	7.5
Synonyms	N-(3-chloro-4-fluoro-phenyl)-2-[1-cyclopentyl-4-(2'',6''-dichloro-biphenyl-4-yl)-piperidin-4-ylamino]-acetamide BDBM50186817
Inchi Key	FFJIQQUKMRHXIF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31Cl3FN3O/c31-24-6-3-7-25(32)29(24)20-8-10-21(11-9-20)30(14-16-37(17-15-30)23-4-1-2-5-23)35-19-28(38)36-22-12-13-27(34)26(33)18-22/h3,6-13,18,23,35H,1-2,4-5,14-17,19H2,(H,36,38)
PubChem CID	10239929
ChEMBL	CHEMBL210255
IUPHAR	N/A
BindingDB	50186817
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
77153	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
77154	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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