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

NameCHEMBL1171102
Molecular formulaC28H22FN5O4
IUPAC name(2R)-N-[3-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-2-(furan-2-carbonylamino)pyridin-4-yl]phenyl]pyrrolidine-2-carboxamide
Molecular weight511.513
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.0
SynonymsBDBM50322294
N-(3-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-2-[(furan-2-ylcarbonyl)amino]pyridin-4-yl}phenyl)-D-prolinamide
SCHEMBL13802016
Inchi KeyAQCSYEQEMDPBSA-JOCHJYFZSA-N
Inchi IDInChI=1S/C28H22FN5O4/c29-17-8-9-19(24(35)13-17)23-14-20(21(15-30)26(33-23)34-28(37)25-7-3-11-38-25)16-4-1-5-18(12-16)32-27(36)22-6-2-10-31-22/h1,3-5,7-9,11-14,22,31,35H,2,6,10H2,(H,32,36)(H,33,34,37)/t22-/m1/s1
PubChem CID136016489
ChEMBLCHEMBL1171102
IUPHARN/A
BindingDB50322294
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557623KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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