SEQ2FUN

BioLiP

PDB CCD ID: NC6
Number of entries in BioLiP: 1
Chemical formula: C13 H24 N2 O3
InChI: InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
InChIKey: KFTVEPYSUSWBRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCCNC(=O)NC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)NC(=O)NCCCCCC(=O)O
ACDLabs 10.04O=C(NC1CCCCC1)NCCCCCC(=O)O
Name:6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID;
4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
ChEMBL: CHEMBL434374
DrugBank: DB08258
ZINC: ZINC000013493677
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).