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 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

NameSCHEMBL1973042
Molecular formulaC27H31Cl3N4O3
IUPAC name1-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-3-(4-chlorophenyl)-1-methylurea
Molecular weight565.92
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsUS8592454, 61
CHEMBL3651888
BDBM106975
Inchi KeyAXYVSTYNMWOVHD-WIOPSUGQSA-N
Inchi IDInChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1
PubChem CID67233125
ChEMBLCHEMBL3651888
IUPHARN/A
BindingDB106975
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17232Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
17231Substance-K receptorP21452TACR2Homo sapiens (Human)398
17233Substance-P receptorP25103TACR1Homo sapiens (Human)407

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