SEQ2FUN

BioLiP

PDB CCD ID: 9MI
Number of entries in BioLiP: 2
Chemical formula: C10 H16
InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKey: YHQGMYUVUMAZJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CC(C)C1=CC=C(C)CC1
OpenEye OEToolkits 2.0.7CC1=CC=C(CC1)C(C)C
Name:1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
ChEMBL: CHEMBL2251642
ZINC: ZINC000000967593
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).