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Ligand

NameCHEMBL139457
Molecular formulaC33H36N4O8S
IUPAC name(2S,4S)-4-naphthalen-2-yloxy-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Molecular weight648.731
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.2
Synonyms(2S,4S)-4-(2-Naphthyloxy)-1-[(R)-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Inchi KeyACSAAMFTGSZBJX-ITHJLQSDSA-N
Inchi IDInChI=1S/C33H36N4O8S/c1-2-3-4-5-13-27(36-20-30(34-21-36)35-31(38)26-12-8-9-14-29(26)46(42,43)44)32(39)37-19-25(18-28(37)33(40)41)45-24-16-15-22-10-6-7-11-23(22)17-24/h6-12,14-17,20-21,25,27-28H,2-5,13,18-19H2,1H3,(H,35,38)(H,40,41)(H,42,43,44)/t25-,27+,28-/m0/s1
PubChem CID10258697
ChEMBLCHEMBL139457
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1860Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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