BioLiP

PDB

BioLiP

PDB CCD ID:

AIM

Number of entries in BioLiP:

Chemical formula:

C9 H14 N4

InChI:

InChI=1S/C9H14N4/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h5,7H,1-4,10H2,(H2,11,13)/b8-6-/t7-/m1/s1

InChIKey:

IOFGATAJWGLVLA-QHRPWQPMSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	N=2\C(=C1/CCC(N)CC1)C=NC=2N
OpenEye OEToolkits 1.5.0	C1CC(=C2C=NC(=N2)N)CCC1N
CACTVS 3.341	N[CH]1CC[C@@](CC1)=[C]2C=NC(=N2)N
CACTVS 3.341	N[CH]1CC[C](CC1)=[C]2C=NC(=N2)N

Name:

4-(4-AMINO-CYCLOHEXYLIDENE)-4H-IMIDAZOL-2-YLAMINE

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).