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 DMFold 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

NameBDBM37731
Molecular formulaC16H18N4O3
IUPAC namemethyl 2-(5-cyano-4-cyclohex-2-en-1-yl-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-3-yl)acetate
Molecular weight314.345
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.0
Synonyms2-[6-amino-5-cyano-4-(1-cyclohex-2-enyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
cid_3242657
methyl 2-(6-azanyl-5-cyano-4-cyclohex-2-en-1-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)ethanoate
2-(6-amino-5-cyano-4-cyclohex-2-en-1-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetic acid methyl ester
Inchi KeyBRPDROSHKGEUPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4O3/c1-22-12(21)7-11-14-13(9-5-3-2-4-6-9)10(8-17)15(18)23-16(14)20-19-11/h3,5,9-10,13,18H,2,4,6-7H2,1H3,(H,19,20)
PubChem CID91896331
ChEMBLN/A
IUPHARN/A
BindingDB37731
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
31209fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
31208N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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