SEQ2FUN

BioLiP

PDB CCD ID: A1ICB
Number of entries in BioLiP: 0
Chemical formula: C13 H15 Cl N2 O3
InChI: InChI=1S/C13H15ClN2O3/c1-7-2-3-10(14)9(4-7)12(17)16-8-5-11(13(18)19)15-6-8/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)(H,18,19)/t8-,11-/m0/s1
InChIKey: CDPJCMBIFVJJSG-KWQFWETISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(Cl)c(c1)C(=O)N[CH]2CN[CH](C2)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)C(=O)N[C@H]2C[C@H](NC2)C(=O)O)Cl
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)C(=O)NC2CC(NC2)C(=O)O)Cl
CACTVS 3.385Cc1ccc(Cl)c(c1)C(=O)N[C@@H]2CN[C@@H](C2)C(O)=O
Name:(2S,4S)-4-[(2-chloranyl-5-methyl-phenyl)carbonylamino]pyrrolidine-2-carboxylic acid
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).