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Ligand

NameLPNYNWNSFGLRF
Molecular formulaC78H106N20O19
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
Molecular weight1627.83
Hydrogen bond acceptor21
Hydrogen bond donor21
XlogP-4.5
SynonymsBDBM50203805
Inchi KeyAURRBCSZKDKGPU-WOUDKVOTSA-N
Inchi IDInChI=1S/C78H106N20O19/c1-41(2)29-49(79)76(115)98-28-14-22-61(98)75(114)95-58(37-64(82)103)72(111)91-54(32-45-23-25-47(100)26-24-45)69(108)93-56(35-62(80)101)71(110)92-55(34-46-38-86-50-20-12-11-19-48(46)50)70(109)94-57(36-63(81)102)73(112)97-60(40-99)74(113)90-53(31-43-15-7-5-8-16-43)66(105)87-39-65(104)88-52(30-42(3)4)68(107)89-51(21-13-27-85-78(83)84)67(106)96-59(77(116)117)33-44-17-9-6-10-18-44/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H,87,105)(H,88,104)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,106)(H,97,112)(H,116,117)(H4,83,84,85)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
PubChem CID91970995
ChEMBLCHEMBL220853
IUPHARN/A
BindingDB50203805
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
14929KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398

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