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Ligand

NameCHEMBL414180
Molecular formulaC51H69N7O13S
IUPAC name(3R)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-6-phenoxyhexanoic acid
Molecular weight1020.21
Hydrogen bond acceptor13
Hydrogen bond donor9
XlogP6.1
SynonymsN/A
Inchi KeyCWCIEGCNXSWALH-KHSZCUONSA-N
Inchi IDInChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35-,40+,41+,42+,43-/m1/s1
PubChem CID73349808
ChEMBLCHEMBL414180
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
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
51985Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
51986Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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