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Ligand

NameCHEMBL266666
Molecular formulaC59H81N11O17
IUPAC name(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]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 weight1216.36
Hydrogen bond acceptor18
Hydrogen bond donor15
XlogP-1.5
SynonymsYVPTFVGSEAF
BDBM50062202
Inchi KeyCTGMJQDDJBZZNI-YLIDCARASA-N
Inchi IDInChI=1S/C59H81N11O17/c1-31(2)47(56(83)61-29-45(74)63-43(30-71)54(81)64-40(23-24-46(75)76)52(79)62-33(5)50(77)66-42(59(86)87)28-36-16-11-8-12-17-36)67-53(80)41(27-35-14-9-7-10-15-35)65-57(84)49(34(6)72)69-55(82)44-18-13-25-70(44)58(85)48(32(3)4)68-51(78)39(60)26-37-19-21-38(73)22-20-37/h7-12,14-17,19-22,31-34,39-44,47-49,71-73H,13,18,23-30,60H2,1-6H3,(H,61,83)(H,62,79)(H,63,74)(H,64,81)(H,65,84)(H,66,77)(H,67,80)(H,68,78)(H,69,82)(H,75,76)(H,86,87)/t33-,34+,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1
PubChem CID44273362
ChEMBLCHEMBL266666
IUPHARN/A
BindingDB50062202
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
50090Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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