BioLiP

PDB

BioLiP

PDB CCD ID:

3FW

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	[N@H]=Cc1nc(ccn1)CN
CACTVS 3.385	NCc1ccnc(C=N)n1
OpenEye OEToolkits 1.7.6	[H]/N=C\c1nccc(n1)CN
OpenEye OEToolkits 1.7.6	c1cnc(nc1CN)C=N

Name:

1-{2-[(Z)-iminomethyl]pyrimidin-4-yl}methanamine

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).