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

NameBDBM37707
Molecular formulaC15H17N5
IUPAC name2-cyano-2-[[4-(diethylamino)phenyl]methylideneamino]ethanimidoyl cyanide
Molecular weight267.336
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
Synonyms(Z)-2-amino-3-[[4-(diethylamino)phenyl]methylideneamino]-2-butenedinitrile
(Z)-2-azanyl-3-[[4-(diethylamino)phenyl]methylideneamino]but-2-enedinitrile
cid_3238678
(Z)-2-amino-3-[[4-(diethylamino)benzylidene]amino]but-2-enedinitrile
Inchi KeyCHKHMJMRQOVNNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17N5/c1-3-20(4-2)13-7-5-12(6-8-13)11-19-15(10-17)14(18)9-16/h5-8,11,15,18H,3-4H2,1-2H3
PubChem CID53721267
ChEMBLN/A
IUPHARN/A
BindingDB37707
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42052fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
42053N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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