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

NameCHEMBL284865
Molecular formulaC35H30Cl2N4O3
IUPAC name2-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-propylacetamide
Molecular weight625.55
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.3
SynonymsBDBM50126247
SCHEMBL4601169
2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-propyl-acetamide
Inchi KeyBCBZHMQNNVSKIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H30Cl2N4O3/c1-4-18-41(32(42)19-26-14-16-30(40(26)3)35(43)25-12-9-23(20-38)10-13-25)29-17-15-28(36)27(33(29)37)21-44-31-7-5-6-24-11-8-22(2)39-34(24)31/h5-17H,4,18-19,21H2,1-3H3
PubChem CID22288602
ChEMBLCHEMBL284865
IUPHARN/A
BindingDB50126247
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20030B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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