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Ligand

NameCHEMBL3128185
Molecular formulaC30H29FN4O2S
IUPAC name(4R)-2-(4-fluorophenyl)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
Molecular weight528.646
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsN/A
Inchi KeyAHGPIPADZZLPDD-XVOBZGQLSA-N
Inchi IDInChI=1S/C30H29FN4O2S/c31-21-7-5-19(6-8-21)30-35-27-24(12-14-26(27)38-30)29(37)34-22-9-3-18(4-10-22)16-23-11-13-25(33-23)28(36)20-2-1-15-32-17-20/h1-10,15,17,23-25,28,33,36H,11-14,16H2,(H,34,37)/t23-,24+,25+,28+/m0/s1
PubChem CID76332892
ChEMBLCHEMBL3128185
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5527Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
5526Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
5528Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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