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Ligand

NameCHEMBL339159
Molecular formulaC47H76N10O9
IUPAC name(2S,3S)-2-[[(2R)-2-[[(2S)-2-[11-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]undecanoylamino]-3-hydroxypropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoic acid
Molecular weight925.186
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP0.9
SynonymsBDBM50408812
Inchi KeyJKORGGRFHONGKP-LUWDTFEBSA-N
Inchi IDInChI=1S/C47H76N10O9/c1-4-31(2)41(46(65)66)57-44(63)38(29-33-23-24-34-18-12-13-19-35(34)28-33)56-45(64)39(30-58)54-40(60)22-11-9-7-5-6-8-10-16-26-51-42(61)36(21-17-27-52-47(49)50)55-43(62)37(53-32(3)59)20-14-15-25-48/h12-13,18-19,23-24,28,31,36-39,41,58H,4-11,14-17,20-22,25-27,29-30,48H2,1-3H3,(H,51,61)(H,53,59)(H,54,60)(H,55,62)(H,56,64)(H,57,63)(H,65,66)(H4,49,50,52)/t31-,36-,37-,38+,39-,41-/m0/s1
PubChem CID44354059
ChEMBLCHEMBL339159
IUPHARN/A
BindingDB50408812
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
153192B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
153193B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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