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Ligand

NameCHEMBL2163476
Molecular formulaC44H53N13O6
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]carbamoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular weight859.993
Hydrogen bond acceptor9
Hydrogen bond donor12
XlogP1.5
SynonymsBDBM50395003
SCHEMBL13222031
Inchi KeyBCSZFYFJCSDJSC-BBMDXEPMSA-N
Inchi IDInChI=1S/C44H53N13O6/c45-17-9-8-16-35(39(47)58)52-41(60)36(18-26-10-2-1-3-11-26)54-42(61)37(19-27-22-49-33-14-6-4-12-30(27)33)55-44(63)57-56-43(62)38(20-28-23-50-34-15-7-5-13-31(28)34)53-40(59)32(46)21-29-24-48-25-51-29/h1-7,10-15,22-25,32,35-38,49-50H,8-9,16-21,45-46H2,(H2,47,58)(H,48,51)(H,52,60)(H,53,59)(H,54,61)(H,56,62)(H2,55,57,63)/t32-,35-,36+,37-,38+/m0/s1
PubChem CID59446135
ChEMBLCHEMBL2163476
IUPHARN/A
BindingDB50395003
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20492Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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