BioLiP

PDB

BioLiP

PDB CCD ID:

KJ7

Number of entries in BioLiP:

Chemical formula:

C10 H13 N3

InChI:

InChI=1S/C10H13N3/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,11,12,13)/t9-/m0/s1

InChIKey:

OZKGTJHTWRZQLA-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC[C@H](Cc2ccccc2)N1
CACTVS 3.385	NC1=NC[CH](Cc2ccccc2)N1
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C[C@H]2CN=C(N2)N
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CC2CN=C(N2)N
ACDLabs 12.01	C=1(N)NC(CN=1)Cc2ccccc2

Name:

(5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine

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).