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

NameCHEMBL277661
Molecular formulaC22H18N2O4
IUPAC name(3S,4S)-4-(naphthalene-2-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
Molecular weight374.396
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50280133
SCHEMBL9205637
(3S,4S)-4-[(Naphthalene-2-carbonyl)-amino]-5-oxo-1-phenyl-pyrrolidine-3-carboxylic acid
Inchi KeyBDVFAVBKAXMDIW-OALUTQOASA-N
Inchi IDInChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19-/m0/s1
PubChem CID44458112
ChEMBLCHEMBL277661
IUPHARN/A
BindingDB50280133
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21279Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
21280Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
21281Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417