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Ligand

NameCHEMBL3142381
Molecular formulaC52H73N11O10
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(3S)-1-[2-[[(2S)-1-[[(4R)-5-hydroxy-2-methylnonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxoazepan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[3-(4-hydroxyphenyl)propanoylamino]pentanediamide
Molecular weight1012.22
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.1
SynonymsN/A
Inchi KeySXWFVLCWIVAJQD-SDOFLIKGSA-N
Inchi IDInChI=1S/C52H73N11O10/c1-5-6-14-44(65)41(24-31(2)3)61-51(72)43(26-35-28-54-30-56-35)59-47(68)29-63-23-10-9-13-40(52(63)73)60-48(69)32(4)57-50(71)42(25-34-27-55-38-12-8-7-11-37(34)38)62-49(70)39(20-21-45(53)66)58-46(67)22-17-33-15-18-36(64)19-16-33/h7-8,11-12,15-16,18-19,27-28,30-32,39-44,55,64-65H,5-6,9-10,13-14,17,20-26,29H2,1-4H3,(H2,53,66)(H,54,56)(H,57,71)(H,58,67)(H,59,68)(H,60,69)(H,61,72)(H,62,70)/t32-,39-,40-,41+,42-,43-,44?/m0/s1
PubChem CID90662940
ChEMBLCHEMBL3142381
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
325918Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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