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Ligand

NameCHEMBL2370234
Molecular formulaC43H70N12O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[1-[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]cycloheptanecarbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight915.107
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-3.6
SynonymsN/A
Inchi KeyNZEUEPVBPHJSKE-UCBQYPOESA-N
Inchi IDInChI=1S/C43H70N12O10/c1-26(34(57)53-32(25-56)39(62)55-23-13-18-33(55)38(61)52-31(40(63)64)24-28-14-6-5-7-15-28)50-41(65)43(19-9-3-4-10-20-43)54-35(58)27(2)49-37(60)30(17-12-22-48-42(46)47)51-36(59)29(45)16-8-11-21-44/h5-7,14-15,26-27,29-33,56H,3-4,8-13,16-25,44-45H2,1-2H3,(H,49,60)(H,50,65)(H,51,59)(H,52,61)(H,53,57)(H,54,58)(H,63,64)(H4,46,47,48)/t26-,27?,29-,30-,31-,32-,33-/m0/s1
PubChem CID73353020
ChEMBLCHEMBL2370234
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
235639B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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