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Ligand

NameCHEMBL2370058
Molecular formulaC45H63N11O8
IUPAC nametert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-1-[(2R)-2-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Molecular weight886.068
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP2.1
SynonymsN/A
Inchi KeyGAXLHOMRDONJTO-ILHQSSGPSA-N
Inchi IDInChI=1S/C45H63N11O8/c1-27(51-38(58)32(18-11-21-49-43(46)47)54-44(63)64-45(2,3)4)37(57)52-33(25-29-26-50-31-17-10-9-16-30(29)31)39(59)53-34(24-28-14-7-6-8-15-28)41(61)56-23-13-20-36(56)42(62)55-22-12-19-35(55)40(60)48-5/h6-10,14-17,26-27,32-36,50H,11-13,18-25H2,1-5H3,(H,48,60)(H,51,58)(H,52,57)(H,53,59)(H,54,63)(H4,46,47,49)/t27-,32-,33+,34-,35-,36+/m0/s1
PubChem CID73356094
ChEMBLCHEMBL2370058
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
92016Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
92017Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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