SEQ2FUN

BioLiP

PDB CCD ID: TCM
Number of entries in BioLiP: 1
Chemical formula: C10 H16 S
InChI: InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKey: AAADKYXUTOBAGS-XCBNKYQSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1([C@@H]2CC[C@]1(C(=S)C2)C)C
CACTVS 3.341CC1(C)[CH]2CC[C]1(C)C(=S)C2
OpenEye OEToolkits 1.5.0CC1(C2CCC1(C(=S)C2)C)C
CACTVS 3.341CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2
ACDLabs 10.04S=C1CC2CCC1(C)C2(C)C
Name:THIOCAMPHOR
DrugBank: DB02851
ZINC: ZINC000002028342
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).