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Ligand

NameCHEMBL115479
Molecular formulaC45H67N13O9
IUPAC name(2S)-2-[[(2R)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Molecular weight934.113
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-3.1
Synonyms(S)-2-[((R)-1-{(S)-2-[(S)-2-((S)-2-Amino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-4-carbamoyl-butyryl}-pyrrolidine-2-carbonyl)-amino]-pentanedioic acid 5-amide 1-{[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}
BDBM50037570
Inchi KeyMNRITTZGGLPDBP-JZMDUVNLSA-N
Inchi IDInChI=1S/C45H67N13O9/c1-26(2)23-29(46)39(62)57-34(25-28-13-7-4-8-14-28)42(65)55-32(18-20-37(48)60)44(67)58-22-10-16-35(58)43(66)54-31(17-19-36(47)59)41(64)53-30(15-9-21-52-45(50)51)40(63)56-33(38(49)61)24-27-11-5-3-6-12-27/h3-8,11-14,26,29-35H,9-10,15-25,46H2,1-2H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,53,64)(H,54,66)(H,55,65)(H,56,63)(H,57,62)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35+/m0/s1
PubChem CID10260237
ChEMBLCHEMBL115479
IUPHARN/A
BindingDB50037570
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
210001Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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