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Ligand

NameCHEMBL2373017
Molecular formulaC43H65N13O10S2
IUPAC name(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(5S,8S,11S)-11-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-8-[(4-hydroxyphenyl)methyl]-7,10-dioxo-1,2-dithia-6,9-diazacyclotridecane-5-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Molecular weight988.194
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-2.8
SynonymsBDBM50452851
Inchi KeyDRNGOLHFSFKHPA-WOHZJSJJSA-N
Inchi IDInChI=1S/C43H65N13O10S2/c1-4-24(2)35(42(65)66)55-40(63)33-8-6-16-56(33)41(64)32(20-26-21-47-23-49-26)54-38(61)30-14-18-68-67-17-13-29(37(60)53-31(39(62)52-30)19-25-9-11-27(57)12-10-25)51-36(59)28(50-34(58)22-46-3)7-5-15-48-43(44)45/h9-12,21,23-24,28-33,35,46,57H,4-8,13-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,65,66)(H4,44,45,48)/t24-,28-,29-,30-,31-,32-,33-,35-/m0/s1
PubChem CID14756125
ChEMBLCHEMBL2373017
IUPHARN/A
BindingDB50452851
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
67140Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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