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Ligand

NameCHEMBL2373534
Molecular formulaC47H69N11O7
IUPAC name(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-cyclohexylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight900.139
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.2
SynonymsBDBM50077483
(R)-2-[(S)-2-{(R)-2-[((R)-1-{(S)-6-Amino-2-[(S)-2-((S)-2,6-diamino-hexanoylamino)-3-phenyl-propionylamino]-hexanoyl}-pyrrolidine-2-carbonyl)-amino]-3-cyclohexyl-propionylamino}-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid
Inchi KeyDOUBWNUTSZWILP-AKUVXLQWSA-N
Inchi IDInChI=1S/C47H69N11O7/c1-51-37(26-30-14-4-2-5-15-30)41(59)54-35(20-10-11-23-48)45(63)58-25-13-22-40(58)44(62)57-38(27-31-16-6-3-7-17-31)42(60)56-39(28-32-29-53-34-19-9-8-18-33(32)34)43(61)55-36(46(64)65)21-12-24-52-47(49)50/h2,4-5,8-9,14-15,18-19,29,31,35-40,51,53H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,54,59)(H,55,61)(H,56,60)(H,57,62)(H,64,65)(H4,49,50,52)/t35-,36-,37-,38+,39-,40+/m0/s1
PubChem CID44301930
ChEMBLN/A
IUPHARN/A
BindingDB50077483
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65343C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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