SEQ2FUN

BioLiP

PDB CCD ID: NC3
Number of entries in BioLiP: 2
Chemical formula: C9 H16 N2 O3
InChI: InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
InChIKey: NVORCMBCUHQRDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CNC(=O)NC1CCCCC1
ACDLabs 10.04O=C(NC1CCCCC1)NCC(=O)O
OpenEye OEToolkits 1.5.0C1CCC(CC1)NC(=O)NCC(=O)O
Name:N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE;
4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
ChEMBL: CHEMBL66380
DrugBank: DB08256
ZINC: ZINC000006691828
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).