SEQ2FUN

BioLiP

PDB CCD ID: A1L9H
Number of entries in BioLiP: 2
Chemical formula: C19 H27 N O3
InChI: InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16+,17-/m0/s1
InChIKey: OELFLUMRDSZNSF-BBWFWOEESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)C1CCC(CC1)C(=O)N[C@H](Cc2ccccc2)C(=O)O
CACTVS 3.385CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)C1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)O
Name:(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid;
nateglinide
ChEMBL: CHEMBL783
DrugBank: DB00731
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).