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Ligand

NameJMV458
Molecular formulaC45H73N13O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight940.161
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP1.9
Synonyms(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoy
D09RSL
JMV-458
GTPL1572
AC1NSKFB
[ Show all ]
Inchi KeyKOHSYJYVCLITLX-OLPQHFNPSA-N
Inchi IDInChI=1S/C45H73N13O9/c1-8-26(4)35(39(62)55-33(41(64)65)22-25(2)3)57-37(60)32(23-27-24-52-29-15-10-9-14-28(27)29)54-38(61)34-18-13-21-58(34)40(63)31(17-12-20-51-43(48)49)53-36(59)30(16-11-19-50-42(46)47)56-44(66)67-45(5,6)7/h9-10,14-15,24-26,30-35,52H,8,11-13,16-23H2,1-7H3,(H,53,59)(H,54,61)(H,55,62)(H,56,66)(H,57,60)(H,64,65)(H4,46,47,50)(H4,48,49,51)/t26-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID5311320
ChEMBLN/A
IUPHAR1572
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554155Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
554156Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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