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BioLiP

PDB CCD ID: OG8
Number of entries in BioLiP: 1
Chemical formula: C12 H21 N3
InChI: InChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)/t8-,9+,10-,12-
InChIKey: GAYYIZMRYZOIJI-GOCCLTDMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C2CC3CC1CC(C2)(C3)CNC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2
CACTVS 3.385NC(=N)NCC12CC3CC(CC(C3)C1)C2
Name:1-(1-adamantylmethyl)guanidine
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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