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BioLiP

PDB CCD ID: 3FW
Number of entries in BioLiP: 0
Chemical formula: C6 H8 N4
InChI: InChI=1S/C6H8N4/c7-3-5-1-2-9-6(4-8)10-5/h1-2,4,8H,3,7H2/b8-4-
InChIKey: ZZXLXCRSFIBRMR-YWEYNIOJSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[N@H]=Cc1nc(ccn1)CN
CACTVS 3.385NCc1ccnc(C=N)n1
OpenEye OEToolkits 1.7.6[H]/N=C\c1nccc(n1)CN
OpenEye OEToolkits 1.7.6c1cnc(nc1CN)C=N
Name:1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine
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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