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BioLiP

PDB CCD ID: Y70
Number of entries in BioLiP: 33
Chemical formula: C13 H11 N3 O4
InChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1
InChIKey: UVSMNLNDYGZFPF-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N
CACTVS 3.385Nc1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
CACTVS 3.385Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12
OpenEye OEToolkits 1.9.2c1cc2c(c(c1)N)C(=O)N(C2=O)C3CCC(=O)NC3=O
Name:S-Pomalidomide
ChEMBL: CHEMBL2093113
ZINC: ZINC000003940470
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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