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

NameCHEMBL487909
Molecular formulaC32H34N6O2
IUPAC name1-(1-benzylbenzimidazole-2-carbonyl)-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
Molecular weight534.664
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50264497
1-(1-Benzyl-1H-benzoimidazole-2-carbonyl)-piperidine-4-carboxylic acid [4-(4,5-dihydro-1H-imidazol-2-yl)-benzyl]-methyl-amide
Inchi KeyWWWSJUJRVKJWBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H34N6O2/c1-36(21-24-11-13-25(14-12-24)29-33-17-18-34-29)31(39)26-15-19-37(20-16-26)32(40)30-35-27-9-5-6-10-28(27)38(30)22-23-7-3-2-4-8-23/h2-14,26H,15-22H2,1H3,(H,33,34)
PubChem CID44579890
ChEMBLCHEMBL487909
IUPHARN/A
BindingDB50264497
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
384325B1 bradykinin receptorQ3BCU0BDKRB1Macaca fascicularis (Crab-eating macaque)352

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