Home Research COVID-19 Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL511558
Molecular formulaC25H14Cl3N3O
IUPAC name7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
Molecular weight478.757
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.8
SynonymsSCHEMBL3481908
BDBM50259183
7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
Inchi KeyADTDLLKEQWBPQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H14Cl3N3O/c26-16-9-5-14(6-10-16)19-13-20-24(29-22(19)18-3-1-2-4-21(18)28)30-23(31-25(20)32)15-7-11-17(27)12-8-15/h1-13H,(H,29,30,31,32)
PubChem CID135923696
ChEMBLCHEMBL511558
IUPHARN/A
BindingDB50259183
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3067Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
3066Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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