Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1LQT3K
Molecular formulaC18H15ClN4S
IUPAC name2-[5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Molecular weight354.856
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsOprea1_771967
CHEMBL1434294
MolPort-002-167-886
HMS1798A15
ZINC1197029
[ Show all ]
Inchi KeyADWFVEDWMHSIPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H15ClN4S/c19-13-6-4-5-12(9-13)17-21-11-22-23(17)18-15(10-20)14-7-2-1-3-8-16(14)24-18/h4-6,9,11H,1-3,7-8H2
PubChem CID1356393
ChEMBLCHEMBL1434294
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463268Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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