SEQ2FUN

BioLiP

PDB CCD ID: C5B
Number of entries in BioLiP: 3
Chemical formula: C7 H11 N O4
InChI: InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
InChIKey: YFYNOWXBIBKGHB-FBCQKBJTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(CC1C(=O)O)(C(=O)O)N
OpenEye OEToolkits 1.5.0C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N
CACTVS 3.341N[C]1(CC[CH](C1)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C1(N)CC(C(=O)O)CC1
CACTVS 3.341N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Name:(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID;
1S,3R-ACPD
ChEMBL: CHEMBL34453
ZINC: ZINC000002004213

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).