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

NameCHEMBL297868
Molecular formulaC19H21Cl2N5
IUPAC name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
Molecular weight390.312
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsSCHEMBL7224264
BDBM50087719
4-(5,7-Dichloro-2,3-dihydro-indol-1-yl)-1-(1-ethyl-propyl)-6-methyl-1H-[1,2,3]triazolo[4,5-c]pyridine
Inchi KeyBEGBSSPFQACGIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3
PubChem CID18629227
ChEMBLCHEMBL297868
IUPHARN/A
BindingDB50087719
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
21524Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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