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BioLiP

PDB CCD ID: 05T
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N4
InChI: InChI=1S/C8H18N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h6-7H,1-5,9H2,(H4,10,11,12)/t6-,7-
InChIKey: NRPMCWSMDJQOJE-LJGSYFOKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC(CCC1CN)NC(=N)N
CACTVS 3.385NC[CH]1CC[CH](CC1)NC(N)=N
CACTVS 3.385NC[C@H]1CC[C@@H](CC1)NC(N)=N
ACDLabs 12.01[N@H]=C(N)NC1CCC(CC1)CN
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/NC1CCC(CC1)CN
Name:1-[4-(aminomethyl)cyclohexyl]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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