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BioLiP

PDB CCD ID: 483
Number of entries in BioLiP: 6
Chemical formula: C12 H19 N3 O
InChI: InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)/t10-,11-
InChIKey: PKHDTDLLHJFDKS-XYPYZODXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1CCC(CC1)NC(=O)Cn2ccnc2
ACDLabs 12.01O=C(NC1CCC(C)CC1)Cn2ccnc2
CACTVS 3.385C[CH]1CC[CH](CC1)NC(=O)Cn2ccnc2
CACTVS 3.385C[C@@H]1CC[C@H](CC1)NC(=O)Cn2ccnc2
Name:2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide
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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