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

You can:

Ligand

NameCHEMBL3971635
Molecular formulaC25H21ClFNO4
IUPAC name4-[[[4-(2-chloro-6-fluorophenoxy)benzoyl]-(cyclopropylmethyl)amino]methyl]benzoic acid
Molecular weight453.894
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM251706
SCHEMBL16507166
US9464060, 42
Inchi KeyHNCSBMWLHBTZMT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21ClFNO4/c26-21-2-1-3-22(27)23(21)32-20-12-10-18(11-13-20)24(29)28(14-16-4-5-16)15-17-6-8-19(9-7-17)25(30)31/h1-3,6-13,16H,4-5,14-15H2,(H,30,31)
PubChem CID117903443
ChEMBLCHEMBL3971635
IUPHARN/A
BindingDB251706
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
538929Lysophosphatidic acid receptor 5Q9H1C0LPAR5Homo sapiens (Human)372

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