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Ligand

NameCHEMBL447449
Molecular formulaC44H49Cl2F2N9O3
IUPAC name(2S)-N-benzyl-5-(diaminomethylideneamino)-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-2-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]pentanamide
Molecular weight860.833
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP6.2
SynonymsN/A
Inchi KeyOFZNKWLYXLUWQA-YDAXCOIMSA-N
Inchi IDInChI=1S/C44H49Cl2F2N9O3/c1-27-32(25-56-19-5-6-20-56)31-16-15-30(23-40(31)57(27)26-33-34(45)11-7-12-35(33)46)53-44(60)55-39(22-29-14-17-36(47)37(48)21-29)42(59)54-38(13-8-18-51-43(49)50)41(58)52-24-28-9-3-2-4-10-28/h2-4,7,9-12,14-17,21,23,38-39H,5-6,8,13,18-20,22,24-26H2,1H3,(H,52,58)(H,54,59)(H4,49,50,51)(H2,53,55,60)/t38-,39-/m0/s1
PubChem CID25022539
ChEMBLCHEMBL447449
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
240275Proteinase-activated receptor 1P26824F2rRattus norvegicus (Rat)432
240276Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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