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Ligand

NameCHEMBL266506
Molecular formulaC54H77N11O18
IUPAC name(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight1168.27
Hydrogen bond acceptor19
Hydrogen bond donor15
XlogP-3.6
SynonymsBDBM50062213
FVPTDVGSEAF
Inchi KeyCKUGXULXXWTDIV-GEECORNHSA-N
Inchi IDInChI=1S/C54H77N11O18/c1-27(2)42(51(79)56-25-39(68)58-37(26-66)49(77)59-34(19-20-40(69)70)47(75)57-29(5)45(73)61-36(54(82)83)23-32-16-11-8-12-17-32)62-48(76)35(24-41(71)72)60-52(80)44(30(6)67)64-50(78)38-18-13-21-65(38)53(81)43(28(3)4)63-46(74)33(55)22-31-14-9-7-10-15-31/h7-12,14-17,27-30,33-38,42-44,66-67H,13,18-26,55H2,1-6H3,(H,56,79)(H,57,75)(H,58,68)(H,59,77)(H,60,80)(H,61,73)(H,62,76)(H,63,74)(H,64,78)(H,69,70)(H,71,72)(H,82,83)/t29-,30+,33-,34-,35-,36-,37-,38-,42-,43-,44-/m0/s1
PubChem CID44274096
ChEMBLCHEMBL266506
IUPHARN/A
BindingDB50062213
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
44412Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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