BioLiP

PDB

BioLiP

PDB CCD ID:

TMI

Number of entries in BioLiP:

Chemical formula:

C22 H18 N2

InChI:

InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1

InChIKey:

OCAPBUJLXMYKEJ-QFIPXVFZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
ACDLabs 10.04	n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
CACTVS 3.341	c1ccc(cc1)[C@H](n2ccnc2)c3ccc(cc3)c4ccccc4
CACTVS 3.341	c1ccc(cc1)[CH](n2ccnc2)c3ccc(cc3)c4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2ccc(cc2)C(c3ccccc3)n4ccnc4

Name:

1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE;
BIFONAZOLE

ZINC:

ZINC000003812958

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).