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Ligand

NameCHEMBL507382
Molecular formulaC43H68N12O8
IUPAC name2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]adamantane-2-carboxylic acid
Molecular weight881.093
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.0
SynonymsH-Arg-Arg-Pro-Tyr-Ile-Aac-OH
BDBM50263388
D0B4SQ
Inchi KeyCMCIRTPGPAKLJS-YTNDVNQYSA-N
Inchi IDInChI=1S/C43H68N12O8/c1-3-23(2)34(38(60)54-43(40(62)63)27-18-25-17-26(20-27)21-28(43)19-25)53-36(58)32(22-24-10-12-29(56)13-11-24)52-37(59)33-9-6-16-55(33)39(61)31(8-5-15-50-42(47)48)51-35(57)30(44)7-4-14-49-41(45)46/h10-13,23,25-28,30-34,56H,3-9,14-22,44H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)(H,54,60)(H,62,63)(H4,45,46,49)(H4,47,48,50)/t23-,25?,26?,27?,28?,30-,31-,32-,33-,34-,43?/m0/s1
PubChem CID44578945
ChEMBLCHEMBL507382
IUPHARN/A
BindingDB50263388
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45212Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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