Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
LCY03B
|
|||
Ligand Name |
{3-[(1r)-3-(3,4-Dimethoxyphenyl)-1-({[(2s)-1-(3,3-Dimethyl-2-Oxopentanoyl)piperidin-2-Yl]carbonyl}oxy)propyl]phenoxy}acetic Acid
|
|||
Synonyms |
CHEMBL321022; {3-[(1r)-3-(3,4-Dimethoxyphenyl)-1-({[(2s)-1-(3,3-Dimethyl-2-Oxopentanoyl)piperidin-2-Yl]carbonyl}oxy)propyl]phenoxy}acetic Acid; 2-(3-((R)-3-(3,4-Dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid; I63; AP1510 monomer; Synthetic Ligand for FKBP; SCHEMBL619873; GTPL11480; BDBM50132556; AP-1497; ligand 2 [PMID: 22455398]; compound 1a monomer [PMID: 12951089]; Q27461334; (S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1-(3-carboxymethoxy-phenyl)-3-(3,4-dimethoxy-phenyl)-propyl ester
Click to Show/Hide
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C32H41NO9
|
|||
Canonical SMILES |
CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC(=O)O
|
|||
InChI |
1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
|
|||
InChIKey |
CKUAMXWZIHXZJC-LOSJGSFVSA-N
|
|||
PubChem Compound ID |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.