You can:
Name | CHEMBL2370120 |
---|---|
Molecular formula | C50H63N9O12S2 |
IUPAC name | (3S)-3-[[(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-acetamido-3-[4-(2-carboxyethyl)phenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid |
Molecular weight | 1046.22 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | 1.7 |
Synonyms | Ac-Phe(4-CH2CH2COOH)-Met-Gly-Trp-Met-Asp-Phe-NH2 BDBM50011543 |
Inchi Key | CEQHJGFECVLIEB-CPIGRZJLSA-N |
Inchi ID | InChI=1S/C50H63N9O12S2/c1-29(60)54-39(24-32-15-13-30(14-16-32)17-18-43(62)63)48(69)56-36(19-21-72-2)46(67)53-28-42(61)55-40(25-33-27-52-35-12-8-7-11-34(33)35)49(70)57-37(20-22-73-3)47(68)59-41(26-44(64)65)50(71)58-38(45(51)66)23-31-9-5-4-6-10-31/h4-16,27,36-41,52H,17-26,28H2,1-3H3,(H2,51,66)(H,53,67)(H,54,60)(H,55,61)(H,56,69)(H,57,70)(H,58,71)(H,59,68)(H,62,63)(H,64,65)/t36-,37-,38+,39+,40+,41+/m1/s1 |
PubChem CID | 73356098 |
ChEMBL | CHEMBL2370120 |
IUPHAR | N/A |
BindingDB | 50011543 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
40148 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
40147 | Gastrin/cholecystokinin type B receptor | P79266 | CCKBR | Bos taurus (Bovine) | 454 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417