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Ligand

NameCHEMBL3978062
Molecular formulaC67H103N19O18S
IUPAC name2-[4-[2-[[(3R)-1-[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-2-oxoazepan-3-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1494.74
Hydrogen bond acceptor24
Hydrogen bond donor16
XlogP-8.4
SynonymsN/A
Inchi KeyHFJNWTRQCKCOID-IXSOTNPPSA-N
Inchi IDInChI=1S/C67H103N19O18S/c1-39(2)27-49(64(101)78-46(60(69)97)16-26-105-6)79-65(102)51(29-43-31-70-38-73-43)77-53(88)32-72-66(103)59(40(3)4)81-61(98)41(5)74-63(100)50(28-42-30-71-45-12-8-7-11-44(42)45)80-62(99)47(14-15-52(68)87)75-55(90)34-86-17-10-9-13-48(67(86)104)76-54(89)33-82-18-20-83(35-56(91)92)22-24-85(37-58(95)96)25-23-84(21-19-82)36-57(93)94/h7-8,11-12,30-31,38-41,46-51,59,71H,9-10,13-29,32-37H2,1-6H3,(H2,68,87)(H2,69,97)(H,70,73)(H,72,103)(H,74,100)(H,75,90)(H,76,89)(H,77,88)(H,78,101)(H,79,102)(H,80,99)(H,81,98)(H,91,92)(H,93,94)(H,95,96)/t41-,46-,47-,48+,49-,50-,51-,59-/m0/s1
PubChem CID134152895
ChEMBLCHEMBL3978062
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
549256Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384

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