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	SMR000235764
Molecular formula	C22H26N4O3S2
IUPAC name	4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N'-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide
Molecular weight	458.595
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N''-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide CHEMBL1335491 HMS2246B11 BDBM41953 MolPort-003-038-241 4-(3,5-dimethylpiperidino)sulfonyl-N''-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide cid_12006167 851978-00-2 MCULE-3944872509 4-((3,5-dimethylpiperidin-1-yl)sulfonyl)-N'-(4-methylbenzo[d]thiazol-2-yl)benzohydrazide 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-N''-(4-methyl-1,3-benzothiazol-2-yl)benzohydrazide F0642-0062 AKOS024590538 MLS000696648 [ Show all ]
Inchi Key	LBTRDZPKEWBWFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N4O3S2/c1-14-11-15(2)13-26(12-14)31(28,29)18-9-7-17(8-10-18)21(27)24-25-22-23-20-16(3)5-4-6-19(20)30-22/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,24,27)
PubChem CID	12006167
ChEMBL	CHEMBL1335491
IUPHAR	N/A
BindingDB	41953
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
183567	Galanin receptor type 2	O43603	GALR2	Homo sapiens (Human)	387

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