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Ligand

NameCHEMBL3735057
Molecular formulaC51H56Cl2N8O4
IUPAC name(2S)-6-amino-N-[(2R)-1-(benzhydrylamino)-1-oxo-3-phenylpropan-2-yl]-2-[[2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl]carbamoylamino]acetyl]amino]hexanamide
Molecular weight915.961
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP7.6
SynonymsBDBM50134199
Inchi KeyADEQJSQZZXWZPW-YWPUXERESA-N
Inchi IDInChI=1S/C51H56Cl2N8O4/c52-42-21-14-22-43(53)41(42)34-61-33-38(32-60-27-12-13-28-60)40-30-39(24-25-46(40)61)56-51(65)55-31-47(62)57-44(23-10-11-26-54)49(63)58-45(29-35-15-4-1-5-16-35)50(64)59-48(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-9,14-22,24-25,30,33,44-45,48H,10-13,23,26-29,31-32,34,54H2,(H,57,62)(H,58,63)(H,59,64)(H2,55,56,65)/t44-,45+/m0/s1
PubChem CID127035910
ChEMBLCHEMBL3735057
IUPHARN/A
BindingDB50134199
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
521511Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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