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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

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Ligand

NameCHEMBL69458
Molecular formulaC35H43N7O5
IUPAC nametert-butyl N-[4-[[4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzoyl]amino]butyl]carbamate
Molecular weight641.773
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.3
Synonyms[4-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-ylmethyl}-benzoylamino)-butyl]-carbamic acid tert-butyl ester
5,11-Dihydro-11-[[4-[4-[4-(tert-butoxycarbonylamino)butylaminocarbonyl]benzyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
BDBM50012341
Inchi KeyBPJFLYYIRYPSDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H43N7O5/c1-35(2,3)47-34(46)38-17-7-6-16-37-32(44)26-14-12-25(13-15-26)23-40-19-21-41(22-20-40)24-30(43)42-29-11-5-4-9-27(29)33(45)39-28-10-8-18-36-31(28)42/h4-5,8-15,18H,6-7,16-17,19-24H2,1-3H3,(H,37,44)(H,38,46)(H,39,45)
PubChem CID15050949
ChEMBLCHEMBL69458
IUPHARN/A
BindingDB50012341
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29630Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
29632Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
29631Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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