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Ligand

NameCHEMBL1269139
Molecular formulaC32H46N6O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[3-[4-(aminomethyl)piperidine-1-carbonyl]anilino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight594.757
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.3
SynonymsBDBM50329494
5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone
Inchi KeyJNVWQTNIDLAFGO-PTJQVGQKSA-N
Inchi IDInChI=1S/C32H46N6O5/c1-3-21(2)28(31(41)35-25-11-7-10-24(19-25)32(42)38-16-13-23(20-33)14-17-38)37-29(39)26(18-22-8-5-4-6-9-22)36-30(40)27-12-15-34-43-27/h7,10-12,15,19,21-23,26,28H,3-6,8-9,13-14,16-18,20,33H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t21-,26-,28-/m0/s1
PubChem CID49788440
ChEMBLCHEMBL1269139
IUPHARN/A
BindingDB50329494
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
155490Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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