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BioLiP

PDB CCD ID: I18
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.370CC1=N[C@H]([C@H](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
OpenEye OEToolkits 1.7.6CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl
CACTVS 3.370CC1=N[CH]([CH](N1)c2ccc(Cl)cc2)c3ccc(Cl)cc3
ACDLabs 12.01Clc1ccc(cc1)C3N=C(NC3c2ccc(Cl)cc2)C
OpenEye OEToolkits 1.7.6CC1=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, Peter L 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).

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