BioLiP

PDB

BioLiP

PDB CCD ID:

I18

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl2 N2

InChI:

InChI=1S/C16H14Cl2N2/c1-10-19-15(11-2-6-13(17)7-3-11)16(20-10)12-4-8-14(18)9-5-12/h2-9,15-16H,1H3,(H,19,20)/t15-,16+

InChIKey:

VLUCXJXOZXEFPA-IYBDPMFKSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC1=N[C@H]([C@H](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
OpenEye OEToolkits 1.7.6	CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl
CACTVS 3.370	CC1=N[CH]([CH](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
ACDLabs 12.01	Clc1ccc(cc1)C3N=C(NC3c2ccc(Cl)cc2)C
OpenEye OEToolkits 1.7.6	CC1=NC(C(N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl

Name:

(4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole

ChEMBL:

CHEMBL2407608

ZINC:

ZINC000095921067

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).