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Ligand

NameCHEMBL2370237
Molecular formulaC45H76N14O10
IUPAC name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[1-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanoyl]amino]cycloheptanecarbonyl]amino]butanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight973.191
Hydrogen bond acceptor15
Hydrogen bond donor14
XlogP-5.5
SynonymsN/A
Inchi KeyCXIFKWQLQDGOCT-POFDKVPJSA-N
Inchi IDInChI=1S/C45H76N14O10/c46-21-9-6-14-29(49)36(61)53-30(15-10-24-52-44(50)51)37(62)54-32(18-23-48)39(64)58-45(19-7-1-2-8-20-45)43(69)57-31(17-22-47)38(63)56-34(27-60)41(66)59-25-11-16-35(59)40(65)55-33(42(67)68)26-28-12-4-3-5-13-28/h3-5,12-13,29-35,60H,1-2,6-11,14-27,46-49H2,(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,69)(H,58,64)(H,67,68)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
PubChem CID73356114
ChEMBLCHEMBL2370237
IUPHARN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52816B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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