SEQ2FUN

BioLiP

PDB CCD ID: NC4
Number of entries in BioLiP: 1
Chemical formula: C11 H20 N2 O3
InChI: InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16)
InChIKey: WSVFRGGLURJIMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NC(=O)NCCCC(=O)O
ACDLabs 10.04O=C(NC1CCCCC1)NCCCC(=O)O
CACTVS 3.341OC(=O)CCCNC(=O)NC1CCCCC1
Name:4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID;
4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
ChEMBL: CHEMBL219695
DrugBank: DB08257
ZINC: ZINC000008754389
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).