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

NameCHEMBL3946636
Molecular formulaC11H12N4O7
IUPAC name3-[[(2S)-2-amino-2-carboxyethyl]carbamoylamino]-5-nitrobenzoic acid
Molecular weight312.238
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP-3.3
SynonymsBDBM205526
SCHEMBL12329826
US9253997, 92
Inchi KeyDUCVPFDLGOPFHO-QMMMGPOBSA-N
Inchi IDInChI=1S/C11H12N4O7/c12-8(10(18)19)4-13-11(20)14-6-1-5(9(16)17)2-7(3-6)15(21)22/h1-3,8H,4,12H2,(H,16,17)(H,18,19)(H2,13,14,20)/t8-/m0/s1
PubChem CID68245626
ChEMBLCHEMBL3946636
IUPHARN/A
BindingDB205526
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537668Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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