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Ligand

NameCHEMBL418124
Molecular formulaC38H42ClN5O8
IUPAC name(4-chlorophenyl)methyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoate
Molecular weight732.231
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP4.9
SynonymsBenzyloxycarbonyl-Gln-D-Trp(CHO)-Phe(4-chloro-methoxy phenyl)
BDBM50002556
Inchi KeyADKKRGJSHOWGCZ-YPKYBTACSA-N
Inchi IDInChI=1S/C38H42ClN5O8/c1-38(2,3)52-37(50)43-29(17-18-33(40)46)34(47)41-30(20-26-21-44(23-45)32-12-8-7-11-28(26)32)35(48)42-31(19-24-9-5-4-6-10-24)36(49)51-22-25-13-15-27(39)16-14-25/h4-16,21,23,29-31H,17-20,22H2,1-3H3,(H2,40,46)(H,41,47)(H,42,48)(H,43,50)/t29-,30+,31-/m0/s1
PubChem CID15755315
ChEMBLCHEMBL418124
IUPHARN/A
BindingDB50002556
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
2379Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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