SEQ2FUN

BioLiP

PDB CCD ID: CAE
Number of entries in BioLiP: 1
Chemical formula: C10 H18
InChI: InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
InChIKey: BEWYHVAWEKZDPP-WAAGHKOSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(C2CCC1(CC2)C)C
ACDLabs 10.04CC2(C)C1CCC2(CC1)C
CACTVS 3.341CC12CCC(CC1)C2(C)C
Name:CAMPHANE
DrugBank: DB04501
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).