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Ligand

NameCHEMBL329578
Molecular formulaC43H70N12O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[1-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]cyclononanecarbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight915.107
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-3.3
SynonymsN/A
Inchi KeyUDARTKBKIWLIDD-ZTTXAYQISA-N
Inchi IDInChI=1S/C43H70N12O10/c44-21-11-8-16-29(45)36(59)52-30(17-12-22-48-42(46)47)37(60)49-26-35(58)54-43(19-9-3-1-2-4-10-20-43)41(65)50-25-34(57)51-32(27-56)39(62)55-23-13-18-33(55)38(61)53-31(40(63)64)24-28-14-6-5-7-15-28/h5-7,14-15,29-33,56H,1-4,8-13,16-27,44-45H2,(H,49,60)(H,50,65)(H,51,57)(H,52,59)(H,53,61)(H,54,58)(H,63,64)(H4,46,47,48)/t29-,30-,31-,32-,33-/m0/s1
PubChem CID10533789
ChEMBLCHEMBL329578
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
333907B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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