Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL74170
Molecular formulaC27H27N3O2
IUPAC nameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-4-pentylbenzamide
Molecular weight425.532
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.9
SynonymsSCHEMBL9527168
BFUQXEBNBYWFLZ-UHFFFAOYSA-N
BDBM50019205
1,3-Dihydro-3(RS)-(4-n-pentylbenzoylamino)-5-phenyl-2H-1,4-benzodiazepin-2-one
N-(2-Oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-4-pentyl-benzamide
Inchi KeyBFUQXEBNBYWFLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O2/c1-2-3-5-10-19-15-17-21(18-16-19)26(31)30-25-27(32)28-23-14-9-8-13-22(23)24(29-25)20-11-6-4-7-12-20/h4,6-9,11-18,25H,2-3,5,10H2,1H3,(H,28,32)(H,30,31)
PubChem CID14208263
ChEMBLCHEMBL74170
IUPHARN/A
BindingDB50019205
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22642Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
22643Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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