BioLiP

PDB

BioLiP

PDB CCD ID:

0CK

Number of entries in BioLiP:

Chemical formula:

C19 H20 F N5

InChI:

InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)

InChIKey:

WUDBUIUHVNECTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F
CACTVS 3.370	Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCCCC4
ACDLabs 12.01	Fc4ccc(c1ncn(c1c2nc(ncc2)N)C3CCCCC3)cc4

Name:

4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine

ChEMBL:

CHEMBL1951415

ZINC:

ZINC000038237880

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).