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

NameCP-99994
Molecular formulaC19H24N2O
IUPAC name(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
Molecular weight296.414
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL441225
CP99994
(2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CP 99994
[ Show all ]
Inchi KeyDTQNEFOKTXXQKV-HKUYNNGSSA-N
Inchi IDInChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
PubChem CID5311057
ChEMBLCHEMBL441225
IUPHAR2102
BindingDB50000041
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68568Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
459845Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
68567Substance-K receptorP21452TACR2Homo sapiens (Human)398
68569Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
68565Substance-P receptorP25103TACR1Homo sapiens (Human)407
68566Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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