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Ligand

NameCHEMBL3912978
Molecular formulaC33H37N3O8S
IUPAC name[(1S,2R)-1-[[(2R,4S)-5-[(4-acetamidophenyl)sulfonylamino]-4-acetyloxy-2-benzylpentanoyl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
Molecular weight635.732
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.1
SynonymsSCHEMBL17038247
Inchi KeyHLBYSPCQRIRMAC-OGCSMFTJSA-N
Inchi IDInChI=1S/C33H37N3O8S/c1-21(37)35-27-13-15-29(16-14-27)45(41,42)34-20-28(43-22(2)38)18-26(17-24-9-5-4-6-10-24)33(40)36-32-30-12-8-7-11-25(30)19-31(32)44-23(3)39/h4-16,26,28,31-32,34H,17-20H2,1-3H3,(H,35,37)(H,36,40)/t26-,28+,31-,32+/m1/s1
PubChem CID118334895
ChEMBLCHEMBL3912978
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538885Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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