BioLiP

PDB

BioLiP

PDB CCD ID:

6T6

Number of entries in BioLiP:

Chemical formula:

C21 H20 N4

InChI:

InChI=1S/C21H20N4/c1-21(24-19(20(22)25-21)15-7-3-2-4-8-15)18-11-5-9-16(13-18)17-10-6-12-23-14-17/h2-14,24-25H,22H2,1H3/t21-/m1/s1

InChIKey:

BLSGQDNQCUBPGO-OAQYLSRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@]1(NC(=C(N1)c2ccccc2)N)c3cccc(c3)c4cccnc4
ACDLabs 12.01	n4cccc(c1cc(ccc1)C2(NC(=C(N)N2)c3ccccc3)C)c4
OpenEye OEToolkits 1.9.2	C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4
OpenEye OEToolkits 1.9.2	CC1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4
CACTVS 3.385	C[C]1(NC(=C(N1)c2ccccc2)N)c3cccc(c3)c4cccnc4

Name:

(2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine

ZINC:

ZINC000103529225

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).