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BioLiP

PDB CCD ID: NC7
Number of entries in BioLiP: 1
Chemical formula: C14 H26 N2 O3
InChI: InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
InChIKey: GYTIWWDVOFXKPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NC(=O)NCCCCCCC(=O)O
ACDLabs 10.04O=C(NC1CCCCC1)NCCCCCCC(=O)O
CACTVS 3.341OC(=O)CCCCCCNC(=O)NC1CCCCC1
Name:7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID;
4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
DrugBank: DB08259
ZINC: ZINC000013493757
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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