Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL1642882
Molecular formula	C18H19ClN4O2S
IUPAC name	3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine
Molecular weight	390.886
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.4
Synonyms	CHEMBL1739102 BDBM50334732 SCHEMBL3558782 3-(3-Chlorophenylsulfonyl)-N-(piperidin-4-yl)-1H-indazol-5-amine HCl
Inchi Key	AEFDXRNFDYCLFW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4O2S/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13/h1-5,10-11,13,20-21H,6-9H2,(H,22,23)
PubChem CID	16117151
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50334732
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
3407	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
3402	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
3403	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
3400	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
3408	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
3401	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
3406	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
3404	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
3405	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218