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Ligand

NameCHEMBL264562
Molecular formulaC61H74ClN11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1140.78
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP5.1
SynonymsBDBM84643
BIM 23064
Inchi KeyXTEGECZSHMPPOM-NAKKXXTRSA-N
Inchi IDInChI=1S/C61H74ClN11O9/c1-36(2)53(61(82)72-49(31-39-16-8-5-9-17-39)57(78)67-37(3)54(65)75)73-56(77)48(20-12-13-29-63)68-60(81)52(34-42-35-66-47-19-11-10-18-45(42)47)71-59(80)51(33-41-23-27-44(74)28-24-41)70-58(79)50(32-40-21-25-43(62)26-22-40)69-55(76)46(64)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-53,66,74H,12-13,20,29-34,63-64H2,1-3H3,(H2,65,75)(H,67,78)(H,68,81)(H,69,76)(H,70,79)(H,71,80)(H,72,82)(H,73,77)/t37-,46-,48+,49+,50+,51+,52-,53+/m1/s1
PubChem CID10351281
ChEMBLN/A
IUPHARN/A
BindingDB84643
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
400291Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557154Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
400289Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
400290Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
400288Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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