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Ligand

NameCHEMBL1269141
Molecular formulaC32H49N7O6S
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[3-[4-(aminomethyl)piperidine-1-carbonyl]-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyrazin-7-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight659.847
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.0
Synonyms5-Isoxazoyl-Cha-Ile-(3R,6S)-6-amino-3-(4-[aminomethyl]piperidine-1-carbonyl)tetrahydro-2H-thiazolo(3,2-a)pyridin-5(3H)-one
BDBM50329496
Inchi KeyDHVZCPVEXQADNW-DDMDPKJZSA-N
Inchi IDInChI=1S/C32H49N7O6S/c1-3-20(2)28(36-29(41)23(15-21-7-5-4-6-8-21)35-30(42)25-9-12-34-45-25)32(44)38-17-26(40)39-24(19-46-27(39)18-38)31(43)37-13-10-22(16-33)11-14-37/h9,12,20-24,27-28H,3-8,10-11,13-19,33H2,1-2H3,(H,35,42)(H,36,41)/t20-,23-,24?,27?,28-/m0/s1
PubChem CID52948093
ChEMBLCHEMBL1269141
IUPHARN/A
BindingDB50329496
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
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GLASS IDNameUniProtGeneSpeciesLength
60417Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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