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Ligand

NameCHEMBL434991
Molecular formulaC36H51N5O8S
IUPAC nametert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
Molecular weight713.891
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50096808
(S)-6-Amino-2-[(S)-2-{[1-(3,4-dimethoxy-benzenesulfonyl)-piperidine-3-carbonyl]-amino}-3-(1H-indol-3-yl)-butyrylamino]-hexanoic acid tert-butyl ester
Inchi KeyCCSVEVMLVRFELH-YOAPOAPTSA-N
Inchi IDInChI=1S/C36H51N5O8S/c1-23(27-21-38-28-14-8-7-13-26(27)28)32(34(43)39-29(15-9-10-18-37)35(44)49-36(2,3)4)40-33(42)24-12-11-19-41(22-24)50(45,46)25-16-17-30(47-5)31(20-25)48-6/h7-8,13-14,16-17,20-21,23-24,29,32,38H,9-12,15,18-19,22,37H2,1-6H3,(H,39,43)(H,40,42)/t23-,24?,29-,32?/m0/s1
PubChem CID44354649
ChEMBLCHEMBL434991
IUPHARN/A
BindingDB50096808
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38935Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369

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