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BioLiP

PDB CCD ID: A1IU9
Number of entries in BioLiP: 1
Chemical formula: C28 H28 N4 O6
InChI: InChI=1S/C28H28N4O6/c1-38-25-12-9-19(15-30-25)18-7-8-20-16-32(27(35)21(20)14-18)23(13-17-5-3-2-4-6-17)26(34)31-22(28(36)37)10-11-24(29)33/h2-9,12,14-15,22-23H,10-11,13,16H2,1H3,(H2,29,33)(H,31,34)(H,36,37)/t22-,23-/m0/s1
InChIKey: CGCOMGPOOJVYAL-GOTSBHOMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)O
CACTVS 3.385COc1ccc(cn1)c2ccc3CN([CH](Cc4ccccc4)C(=O)N[CH](CCC(N)=O)C(O)=O)C(=O)c3c2
CACTVS 3.385COc1ccc(cn1)c2ccc3CN([C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(N)=O)C(O)=O)C(=O)c3c2
OpenEye OEToolkits 2.0.7COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)C(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)O
Name:((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine;
(2~{S})-5-azanyl-2-[[(2~{S})-2-[5-(6-methoxypyridin-3-yl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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